N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide

C18H27N7O — CID 95218053

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCCC2)c1cn(C[C@@H]2CCCNC2)nn1
InChIInChI=1S/C18H27N7O/c26-18(17-12-25(24-23-17)11-13-5-4-8-19-9-13)20-10-16-14-6-2-1-3-7-15(14)21-22-16/h12-13,19H,1-11H2,(H,20,26)(H,21,22)/t13-/m1/s1
InChIKeyZZDKJNRIOUQMGQ-CYBMUJFWSA-N
MW357.46 g/mol
LogP1.20
Rot. Bonds5

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide (PubChem CID 95218053) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
PubChem CID95218053
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCCC2)c1cn(C[C@@H]2CCCNC2)nn1
InChIInChI=1S/C18H27N7O/c26-18(17-12-25(24-23-17)11-13-5-4-8-19-9-13)20-10-16-14-6-2-1-3-7-15(14)21-22-16/h12-13,19H,1-11H2,(H,20,26)(H,21,22)/t13-/m1/s1
InChIKeyZZDKJNRIOUQMGQ-CYBMUJFWSA-N
XLogP1.20
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95121995
N-[(5-ethyl-2-pyridinyl)methyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95146832
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 56713630
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95120626
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95149109
1-(piperidin-3-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxamide
CID 50949291
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 56718968
N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95205588
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 135990311
N-(3-phenylsulfanylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 99959733
1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide
CID 50973548
1-[[(3S)-piperidin-3-yl]methyl]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]triazole-4-carboxamide
CID 95222094

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide (CID 95218053) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide is O=C(NCc1n[nH]c2c1CCCCC2)c1cn(C[C@@H]2CCCNC2)nn1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The InChIKey is ZZDKJNRIOUQMGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27N7O/c26-18(17-12-25(24-23-17)11-13-5-4-8-19-9-13)20-10-16-14-6-2-1-3-7-15(14)21-22-16/h12-13,19H,1-11H2,(H,20,26)(H,21,22)/t13-/m1/s1.
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 95218053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).