N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C20H33N3O2 — CID 51362567

IUPACN-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(CCCC(C)(C)O)NC(=O)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H33N3O2/c1-16(7-6-11-20(2,3)25)22-19(24)17-9-13-23(14-10-17)15-18-8-4-5-12-21-18/h4-5,8,12,16-17,25H,6-7,9-11,13-15H2,1-3H3,(H,22,24)
InChIKeyHLTRVLMFXYYDPW-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.74
Rot. Bonds8

About N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 51362567) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID51362567
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(CCCC(C)(C)O)NC(=O)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H33N3O2/c1-16(7-6-11-20(2,3)25)22-19(24)17-9-13-23(14-10-17)15-18-8-4-5-12-21-18/h4-5,8,12,16-17,25H,6-7,9-11,13-15H2,1-3H3,(H,22,24)
InChIKeyHLTRVLMFXYYDPW-UHFFFAOYSA-N
XLogP2.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 51362752
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
(2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid
CID 171834271
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 97086567
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111120941
N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714063
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111479509
1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 51361852
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 795617
N-butan-2-yl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 46949906

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 51362567) is N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CC(CCCC(C)(C)O)NC(=O)C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HLTRVLMFXYYDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16(7-6-11-20(2,3)25)22-19(24)17-9-13-23(14-10-17)15-18-8-4-5-12-21-18/h4-5,8,12,16-17,25H,6-7,9-11,13-15H2,1-3H3,(H,22,24).
What are the key properties of N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 51362567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).