1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H29N3O2S — CID 72850925

IUPAC1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(C(C)C)sc1CNC(=O)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H29N3O2S/c1-12(2)19-21-13(3)16(25-19)10-20-18(24)14-8-9-17(23)22(11-14)15-6-4-5-7-15/h12,14-15H,4-11H2,1-3H3,(H,20,24)
InChIKeyJVVBEJBOSSFRRD-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.37
Rot. Bonds5

About 1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide

1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 72850925) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID72850925
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(C(C)C)sc1CNC(=O)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H29N3O2S/c1-12(2)19-21-13(3)16(25-19)10-20-18(24)14-8-9-17(23)22(11-14)15-6-4-5-7-15/h12,14-15H,4-11H2,1-3H3,(H,20,24)
InChIKeyJVVBEJBOSSFRRD-UHFFFAOYSA-N
XLogP3.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 72850925) is 1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1nc(C(C)C)sc1CNC(=O)C1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is JVVBEJBOSSFRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-12(2)19-21-13(3)16(25-19)10-20-18(24)14-8-9-17(23)22(11-14)15-6-4-5-7-15/h12,14-15H,4-11H2,1-3H3,(H,20,24).
What are the key properties of 1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72850925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).