N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

C17H27N5O — CID 138034866

IUPACN-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NC1CC12CCNCC2)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C17H27N5O/c23-16(20-15-12-17(15)4-7-18-8-5-17)21-10-2-14(3-11-21)13-22-9-1-6-19-22/h1,6,9,14-15,18H,2-5,7-8,10-13H2,(H,20,23)
InChIKeyFCMRJRBGMNBMFV-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.45
Rot. Bonds3

About N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 138034866) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID138034866
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NC1CC12CCNCC2)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C17H27N5O/c23-16(20-15-12-17(15)4-7-18-8-5-17)21-10-2-14(3-11-21)13-22-9-1-6-19-22/h1,6,9,14-15,18H,2-5,7-8,10-13H2,(H,20,23)
InChIKeyFCMRJRBGMNBMFV-UHFFFAOYSA-N
XLogP1.45
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 124569727
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119880920
(1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119880907
4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride
CID 154920746
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
2-[ethyl-[3-[[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025408
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 90494857
N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495360
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
(1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31192833

Frequently Asked Questions

What is the IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (CID 138034866) is N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is O=C(NC1CC12CCNCC2)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is FCMRJRBGMNBMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-16(20-15-12-17(15)4-7-18-8-5-17)21-10-2-14(3-11-21)13-22-9-1-6-19-22/h1,6,9,14-15,18H,2-5,7-8,10-13H2,(H,20,23).
What are the key properties of N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 138034866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).