N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide

C18H23N3O2S — CID 13345423

IUPACN-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(CN2CCC(O)(c3ccccc3)CC2)cs1
InChIInChI=1S/C18H23N3O2S/c1-2-16(22)20-17-19-15(13-24-17)12-21-10-8-18(23,9-11-21)14-6-4-3-5-7-14/h3-7,13,23H,2,8-12H2,1H3,(H,19,20,22)
InChIKeyATDKLDHZZRMMGD-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.98
Rot. Bonds5

About N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide

N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 13345423) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID13345423
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(CN2CCC(O)(c3ccccc3)CC2)cs1
InChIInChI=1S/C18H23N3O2S/c1-2-16(22)20-17-19-15(13-24-17)12-21-10-8-18(23,9-11-21)14-6-4-3-5-7-14/h3-7,13,23H,2,8-12H2,1H3,(H,19,20,22)
InChIKeyATDKLDHZZRMMGD-UHFFFAOYSA-N
XLogP2.98
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 13345419
N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 125143148
N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 103728439
(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 30185192
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 43004964
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
methyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenylpiperidine-4-carboxylate
CID 75421629
3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 167983152
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
ethyl 4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazine-1-carboxylate
CID 39894500
2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 30183028
2-methyl-N-[2-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 46525050

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide (CID 13345423) is N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(CN2CCC(O)(c3ccccc3)CC2)cs1.
What is the InChIKey of N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is ATDKLDHZZRMMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-16(22)20-17-19-15(13-24-17)12-21-10-8-18(23,9-11-21)14-6-4-3-5-7-14/h3-7,13,23H,2,8-12H2,1H3,(H,19,20,22).
What are the key properties of N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 345.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 13345423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).