N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C16H25N3O2 — CID 4614545

IUPACN-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C16H25N3O2/c1-13(12-21-2)18-16(20)15-5-8-19(9-6-15)11-14-4-3-7-17-10-14/h3-4,7,10,13,15H,5-6,8-9,11-12H2,1-2H3,(H,18,20)
InChIKeyIVFCYQSRCUEEFR-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.44
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide

N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 4614545) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID4614545
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C16H25N3O2/c1-13(12-21-2)18-16(20)15-5-8-19(9-6-15)11-14-4-3-7-17-10-14/h3-4,7,10,13,15H,5-6,8-9,11-12H2,1-2H3,(H,18,20)
InChIKeyIVFCYQSRCUEEFR-UHFFFAOYSA-N
XLogP1.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 51361839
N-(1-methoxypropan-2-yl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361898
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 28630305
1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
CID 138044187
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 50960350
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013477
(4,4-difluoropiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
CID 155975853
1-benzylsulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 29204159
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 4614545) is N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide is COCC(C)NC(=O)C1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is IVFCYQSRCUEEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(12-21-2)18-16(20)15-5-8-19(9-6-15)11-14-4-3-7-17-10-14/h3-4,7,10,13,15H,5-6,8-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 4614545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).