N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C49H73N9O3S3 — CID 157398118

IUPACN-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(C)C)CC2)s1.CC(=O)Nc1ncc(CN2CCC(C3CCCCC3)CC2)s1.CC(=O)Nc1ncc(CN2CCC(Cc3ccccc3)CC2)s1
InChIInChI=1S/C18H23N3OS.C17H27N3OS.C14H23N3OS/c1-14(22)20-18-19-12-17(23-18)13-21-9-7-16(8-10-21)11-15-5-3-2-4-6-15;1-13(21)19-17-18-11-16(22-17)12-20-9-7-15(8-10-20)14-5-3-2-4-6-14;1-10(2)12-4-6-17(7-5-12)9-13-8-15-14(19-13)16-11(3)18/h2-6,12,16H,7-11,13H2,1H3,(H,19,20,22);11,14-15H,2-10,12H2,1H3,(H,18,19,21);8,10,12H,4-7,9H2,1-3H3,(H,15,16,18)
InChIKeyBMUYHNXGNFMAAO-UHFFFAOYSA-N
MW932.38 g/mol
LogP10.42
Rot. Bonds13

About N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 157398118) has the molecular formula C49H73N9O3S3 and a molecular weight of 932.38 g/mol. Its IUPAC name is N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID157398118
Molecular FormulaC49H73N9O3S3
Molecular Weight932.38 g/mol
Exact Mass931.50
IUPAC NameN-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(C)C)CC2)s1.CC(=O)Nc1ncc(CN2CCC(C3CCCCC3)CC2)s1.CC(=O)Nc1ncc(CN2CCC(Cc3ccccc3)CC2)s1
InChIInChI=1S/C18H23N3OS.C17H27N3OS.C14H23N3OS/c1-14(22)20-18-19-12-17(23-18)13-21-9-7-16(8-10-21)11-15-5-3-2-4-6-15;1-13(21)19-17-18-11-16(22-17)12-20-9-7-15(8-10-20)14-5-3-2-4-6-14;1-10(2)12-4-6-17(7-5-12)9-13-8-15-14(19-13)16-11(3)18/h2-6,12,16H,7-11,13H2,1H3,(H,19,20,22);11,14-15H,2-10,12H2,1H3,(H,18,19,21);8,10,12H,4-7,9H2,1-3H3,(H,15,16,18)
InChIKeyBMUYHNXGNFMAAO-UHFFFAOYSA-N
XLogP10.42
TPSA135.69 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500932.38
LogP ≤ 510.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 157398118) is N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(C(C)C)CC2)s1.CC(=O)Nc1ncc(CN2CCC(C3CCCCC3)CC2)s1.CC(=O)Nc1ncc(CN2CCC(Cc3ccccc3)CC2)s1.
What is the InChIKey of N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BMUYHNXGNFMAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS.C17H27N3OS.C14H23N3OS/c1-14(22)20-18-19-12-17(23-18)13-21-9-7-16(8-10-21)11-15-5-3-2-4-6-15;1-13(21)19-17-18-11-16(22-17)12-20-9-7-15(8-10-20)14-5-3-2-4-6-14;1-10(2)12-4-6-17(7-5-12)9-13-8-15-14(19-13)16-11(3)18/h2-6,12,16H,7-11,13H2,1H3,(H,19,20,22);11,14-15H,2-10,12H2,1H3,(H,18,19,21);8,10,12H,4-7,9H2,1-3H3,(H,15,16,18).
What are the key properties of N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 932.38 g/mol, XLogP of 10.42, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-benzylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-cyclohexylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 157398118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).