(3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide

C17H26N2O2S — CID 97244995

IUPAC(3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide
SMILESCS[C@H](C)CC(=O)Nc1cccc(CN2CCC(O)CC2)c1
InChIInChI=1S/C17H26N2O2S/c1-13(22-2)10-17(21)18-15-5-3-4-14(11-15)12-19-8-6-16(20)7-9-19/h3-5,11,13,16,20H,6-10,12H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyZKRGTUWFFUYZHH-CYBMUJFWSA-N
MW322.47 g/mol
LogP2.72
Rot. Bonds6

About (3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide

(3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide (PubChem CID 97244995) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is (3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide.

Molecular Properties

Compound Name(3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide
PubChem CID97244995
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name(3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide
SMILESCS[C@H](C)CC(=O)Nc1cccc(CN2CCC(O)CC2)c1
InChIInChI=1S/C17H26N2O2S/c1-13(22-2)10-17(21)18-15-5-3-4-14(11-15)12-19-8-6-16(20)7-9-19/h3-5,11,13,16,20H,6-10,12H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyZKRGTUWFFUYZHH-CYBMUJFWSA-N
XLogP2.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide
CID 71972865
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16786515
N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-imidazo[1,5-a]pyridin-7-ylacetamide
CID 167931531
3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869797
1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol
CID 75425720
1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol
CID 97055529
1-[[3-(3,3-dimethylbutanoylamino)phenyl]methyl]piperidine-4-carboxylic acid
CID 118521952
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 16782680
1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide
CID 119853096
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide?
The IUPAC name of (3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide (CID 97244995) is (3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide.
What is the SMILES notation for (3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide?
The canonical SMILES for (3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide is CS[C@H](C)CC(=O)Nc1cccc(CN2CCC(O)CC2)c1.
What is the InChIKey of (3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide?
The InChIKey is ZKRGTUWFFUYZHH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13(22-2)10-17(21)18-15-5-3-4-14(11-15)12-19-8-6-16(20)7-9-19/h3-5,11,13,16,20H,6-10,12H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide?
(3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide has a molecular weight of 322.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide is sourced from PubChem (CID 97244995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).