(3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide

C17H26N4O3 — CID 95273174

IUPAC(3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
SMILESCCCC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(OC)nc2)C1
InChIInChI=1S/C17H26N4O3/c1-3-5-15(22)18-10-13-6-4-9-21(12-13)17(23)20-14-7-8-16(24-2)19-11-14/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,18,22)(H,20,23)/t13-/m0/s1
InChIKeyOJOLPSWNQMZYTI-ZDUSSCGKSA-N
MW334.42 g/mol
LogP2.25
Rot. Bonds6

About (3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide

(3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 95273174) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
PubChem CID95273174
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
SMILESCCCC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(OC)nc2)C1
InChIInChI=1S/C17H26N4O3/c1-3-5-15(22)18-10-13-6-4-9-21(12-13)17(23)20-14-7-8-16(24-2)19-11-14/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,18,22)(H,20,23)/t13-/m0/s1
InChIKeyOJOLPSWNQMZYTI-ZDUSSCGKSA-N
XLogP2.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 94031810
tert-butyl 3-[[(6-methoxy-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 103759143
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
(2S)-2-ethyl-N-(6-methoxy-3-pyridinyl)morpholine-4-carboxamide
CID 97097741
N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 95292303
N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide
CID 124726200
6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 55099888
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide (CID 95273174) is (3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide is CCCC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(OC)nc2)C1.
What is the InChIKey of (3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is OJOLPSWNQMZYTI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-3-5-15(22)18-10-13-6-4-9-21(12-13)17(23)20-14-7-8-16(24-2)19-11-14/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,18,22)(H,20,23)/t13-/m0/s1.
What are the key properties of (3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide?
(3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 95273174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).