(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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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).