N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide

C17H27N3O — CID 110257992

IUPACN,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
SMILESCN1CCCC(CCCc2ccncc2)(C(=O)N(C)C)C1
InChIInChI=1S/C17H27N3O/c1-19(2)16(21)17(10-5-13-20(3)14-17)9-4-6-15-7-11-18-12-8-15/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3
InChIKeyNUXMWQPBQSXSOU-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.20
Rot. Bonds5

About N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide

N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide (PubChem CID 110257992) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
PubChem CID110257992
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
SMILESCN1CCCC(CCCc2ccncc2)(C(=O)N(C)C)C1
InChIInChI=1S/C17H27N3O/c1-19(2)16(21)17(10-5-13-20(3)14-17)9-4-6-15-7-11-18-12-8-15/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3
InChIKeyNUXMWQPBQSXSOU-UHFFFAOYSA-N
XLogP2.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,1-trimethyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 110257993
(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 95402837
(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 124989292
(3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
CID 125013693
N,2,4-trimethyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide
CID 110094666
(3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid
CID 95804763
(3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
CID 95842972
3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 63136416
(3S)-1-(2-ethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585889
(3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92552144
1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271764
1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide
CID 125012481

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide (CID 110257992) is N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide is CN1CCCC(CCCc2ccncc2)(C(=O)N(C)C)C1.
What is the InChIKey of N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
The InChIKey is NUXMWQPBQSXSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19(2)16(21)17(10-5-13-20(3)14-17)9-4-6-15-7-11-18-12-8-15/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 110257992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).