4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide

C17H27N3O2 — CID 86793332

IUPAC4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(OCCC(C)C)CC2)n1
InChIInChI=1S/C17H27N3O2/c1-13(2)9-12-22-15-7-10-20(11-8-15)17(21)19-16-6-4-5-14(3)18-16/h4-6,13,15H,7-12H2,1-3H3,(H,18,19,21)
InChIKeyLKIPNZBQYZOSSU-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.45
Rot. Bonds5

About 4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide

4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide (PubChem CID 86793332) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide
PubChem CID86793332
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(OCCC(C)C)CC2)n1
InChIInChI=1S/C17H27N3O2/c1-13(2)9-12-22-15-7-10-20(11-8-15)17(21)19-16-6-4-5-14(3)18-16/h4-6,13,15H,7-12H2,1-3H3,(H,18,19,21)
InChIKeyLKIPNZBQYZOSSU-UHFFFAOYSA-N
XLogP3.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
CID 112838670
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
CID 112838502
2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 69073211
2-methyl-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 127513725
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide
CID 79160532
(3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide
CID 129416846
1-[(2R)-2-butylsulfanylpropanoyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 52515347
1-[2-[(3R)-3-(3-methylbutoxy)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 96784337
N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-4-carboxamide
CID 94821290
(2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one
CID 155955397
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
CID 119789471

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide (CID 86793332) is 4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(OCCC(C)C)CC2)n1.
What is the InChIKey of 4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide?
The InChIKey is LKIPNZBQYZOSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)9-12-22-15-7-10-20(11-8-15)17(21)19-16-6-4-5-14(3)18-16/h4-6,13,15H,7-12H2,1-3H3,(H,18,19,21).
What are the key properties of 4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide?
4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 86793332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).