N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C17H27N5O — CID 120939666

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(NC1CCN2CCCCC12)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H27N5O/c23-16(20-14-5-13-21-11-2-1-4-15(14)21)17(6-9-18-10-7-17)22-12-3-8-19-22/h3,8,12,14-15,18H,1-2,4-7,9-11,13H2,(H,20,23)
InChIKeyTYDCMOZVMMRIHU-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.70
Rot. Bonds3

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120939666) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120939666
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(NC1CCN2CCCCC12)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H27N5O/c23-16(20-14-5-13-21-11-2-1-4-15(14)21)17(6-9-18-10-7-17)22-12-3-8-19-22/h3,8,12,14-15,18H,1-2,4-7,9-11,13H2,(H,20,23)
InChIKeyTYDCMOZVMMRIHU-UHFFFAOYSA-N
XLogP0.70
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120939665
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide
CID 63127974
N-(1-cyclopropylpyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940159
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920206
4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120939658
N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120941761
N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936580
1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide
CID 65465504
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709848
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120940661
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120935433
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940660

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120939666) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(NC1CCN2CCCCC12)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is TYDCMOZVMMRIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-16(20-14-5-13-21-11-2-1-4-15(14)21)17(6-9-18-10-7-17)22-12-3-8-19-22/h3,8,12,14-15,18H,1-2,4-7,9-11,13H2,(H,20,23).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120939666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).