(3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide

C16H29N3O3 — CID 129491664

IUPAC(3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@](O)(C(=O)NCCN2CCC(C)CC2)C1
InChIInChI=1S/C16H29N3O3/c1-13-4-9-18(10-5-13)11-7-17-15(21)16(22)6-3-8-19(12-16)14(2)20/h13,22H,3-12H2,1-2H3,(H,17,21)/t16-/m0/s1
InChIKeyOYRBFIWLNMXOJU-INIZCTEOSA-N
MW311.43 g/mol
LogP0.21
Rot. Bonds4

About (3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide

(3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 129491664) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID129491664
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@](O)(C(=O)NCCN2CCC(C)CC2)C1
InChIInChI=1S/C16H29N3O3/c1-13-4-9-18(10-5-13)11-7-17-15(21)16(22)6-3-8-19(12-16)14(2)20/h13,22H,3-12H2,1-2H3,(H,17,21)/t16-/m0/s1
InChIKeyOYRBFIWLNMXOJU-INIZCTEOSA-N
XLogP0.21
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 61241468
1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide
CID 128987745
(3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129485088
1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427
2,2-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 103515570
1-[9-[4-(4-methylpiperidin-1-yl)butyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 174255098
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61266440
(3S)-1-acetyl-N-[(4-chloro-2,5-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129485409
1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852388
1-amino-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 64548791
(3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide
CID 129346561

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide (CID 129491664) is (3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide is CC(=O)N1CCC[C@@](O)(C(=O)NCCN2CCC(C)CC2)C1.
What is the InChIKey of (3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is OYRBFIWLNMXOJU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-13-4-9-18(10-5-13)11-7-17-15(21)16(22)6-3-8-19(12-16)14(2)20/h13,22H,3-12H2,1-2H3,(H,17,21)/t16-/m0/s1.
What are the key properties of (3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 129491664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).