(3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide

C18H29N3O2 — CID 97314165

IUPAC(3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccn(C)c(=O)c2)C1
InChIInChI=1S/C18H29N3O2/c1-4-5-9-19-18(23)16-7-6-14(2)21(13-16)12-15-8-10-20(3)17(22)11-15/h8,10-11,14,16H,4-7,9,12-13H2,1-3H3,(H,19,23)/t14-,16+/m0/s1
InChIKeySFCLQTADJGTGQN-GOEBONIOSA-N
MW319.45 g/mol
LogP1.90
Rot. Bonds6

About (3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide

(3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 97314165) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID97314165
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccn(C)c(=O)c2)C1
InChIInChI=1S/C18H29N3O2/c1-4-5-9-19-18(23)16-7-6-14(2)21(13-16)12-15-8-10-20(3)17(22)11-15/h8,10-11,14,16H,4-7,9,12-13H2,1-3H3,(H,19,23)/t14-,16+/m0/s1
InChIKeySFCLQTADJGTGQN-GOEBONIOSA-N
XLogP1.90
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
CID 95675542
N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide
CID 56525948
N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide
CID 56550729
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
(3R,6S)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butyl-6-methylpiperidine-1,3-dicarboxamide
CID 52510139
N-cyclopropyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 47377026
N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 51093171
N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide
CID 111464473
N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide
CID 86903893
N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 60568273
N-butyl-6-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide
CID 60568174
1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 119950444

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide (CID 97314165) is (3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide is CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccn(C)c(=O)c2)C1.
What is the InChIKey of (3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is SFCLQTADJGTGQN-GOEBONIOSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-5-9-19-18(23)16-7-6-14(2)21(13-16)12-15-8-10-20(3)17(22)11-15/h8,10-11,14,16H,4-7,9,12-13H2,1-3H3,(H,19,23)/t14-,16+/m0/s1.
What are the key properties of (3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide?
(3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 97314165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).