N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C17H26N4O2 — CID 167774040

IUPACN-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCC2CCC1C2)N1CCC(O)(c2ccn[nH]2)CC1
InChIInChI=1S/C17H26N4O2/c22-16(19-14-4-2-12-1-3-13(14)11-12)21-9-6-17(23,7-10-21)15-5-8-18-20-15/h5,8,12-14,23H,1-4,6-7,9-11H2,(H,18,20)(H,19,22)
InChIKeyCGDDSIPFGMRTDJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.98
Rot. Bonds2

About N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 167774040) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID167774040
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCC2CCC1C2)N1CCC(O)(c2ccn[nH]2)CC1
InChIInChI=1S/C17H26N4O2/c22-16(19-14-4-2-12-1-3-13(14)11-12)21-9-6-17(23,7-10-21)15-5-8-18-20-15/h5,8,12-14,23H,1-4,6-7,9-11H2,(H,18,20)(H,19,22)
InChIKeyCGDDSIPFGMRTDJ-UHFFFAOYSA-N
XLogP1.98
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 167774040) is N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is O=C(NC1CCC2CCC1C2)N1CCC(O)(c2ccn[nH]2)CC1.
What is the InChIKey of N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is CGDDSIPFGMRTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-16(19-14-4-2-12-1-3-13(14)11-12)21-9-6-17(23,7-10-21)15-5-8-18-20-15/h5,8,12-14,23H,1-4,6-7,9-11H2,(H,18,20)(H,19,22).
What are the key properties of N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[3.2.1]octanyl)-4-hydroxy-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 167774040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).