N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide

C18H30N2O3 — CID 111331904

IUPACN-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(C(=O)CC2(O)CCCCC2)C1
InChIInChI=1S/C18H30N2O3/c21-16(11-18(23)8-2-1-3-9-18)20-10-4-5-15(13-20)17(22)19-12-14-6-7-14/h14-15,23H,1-13H2,(H,19,22)
InChIKeyQNWPYWGKFYNYMF-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.84
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide (PubChem CID 111331904) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide
PubChem CID111331904
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(C(=O)CC2(O)CCCCC2)C1
InChIInChI=1S/C18H30N2O3/c21-16(11-18(23)8-2-1-3-9-18)20-10-4-5-15(13-20)17(22)19-12-14-6-7-14/h14-15,23H,1-13H2,(H,19,22)
InChIKeyQNWPYWGKFYNYMF-UHFFFAOYSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119724080
1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111538197
(3R)-N-(cyclopropylmethyl)-1-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoyl]piperidine-3-carboxamide
CID 51954366
N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide
CID 110264271
N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide
CID 126829314
cis-(1R,3S)-3-[3-(cyclopropylmethylcarbamoyl)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065336
N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 131690745
(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94182054
N-methyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]piperidine-3-carboxamide
CID 103195278
N-(cyclopropylmethyl)-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 119289774
N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide
CID 126804577
N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide
CID 119936804

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide (CID 111331904) is N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide is O=C(NCC1CC1)C1CCCN(C(=O)CC2(O)CCCCC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide?
The InChIKey is QNWPYWGKFYNYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c21-16(11-18(23)8-2-1-3-9-18)20-10-4-5-15(13-20)17(22)19-12-14-6-7-14/h14-15,23H,1-13H2,(H,19,22).
What are the key properties of N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 111331904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).