N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide

C15H24N6O2 — CID 95149109

IUPACN-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCCN1CCCC1=O)c1cn(C[C@H]2CCCNC2)nn1
InChIInChI=1S/C15H24N6O2/c22-14-4-2-7-20(14)8-6-17-15(23)13-11-21(19-18-13)10-12-3-1-5-16-9-12/h11-12,16H,1-10H2,(H,17,23)/t12-/m0/s1
InChIKeyHXHNNIZUGUMNIA-LBPRGKRZSA-N
MW320.40 g/mol
LogP-0.37
Rot. Bonds6

About N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide

N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide (PubChem CID 95149109) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
PubChem CID95149109
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCCN1CCCC1=O)c1cn(C[C@H]2CCCNC2)nn1
InChIInChI=1S/C15H24N6O2/c22-14-4-2-7-20(14)8-6-17-15(23)13-11-21(19-18-13)10-12-3-1-5-16-9-12/h11-12,16H,1-10H2,(H,17,23)/t12-/m0/s1
InChIKeyHXHNNIZUGUMNIA-LBPRGKRZSA-N
XLogP-0.37
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95121995
N-(3-phenylsulfanylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 99959733
N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95205588
1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide
CID 50973548
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 56713630
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95218053
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95120626
N-[(5-ethyl-2-pyridinyl)methyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95146832
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 135990311
1-(piperidin-3-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxamide
CID 50949291
N-[(4-phenyloxan-4-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 118792392
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 56718968

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide (CID 95149109) is N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide is O=C(NCCN1CCCC1=O)c1cn(C[C@H]2CCCNC2)nn1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The InChIKey is HXHNNIZUGUMNIA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N6O2/c22-14-4-2-7-20(14)8-6-17-15(23)13-11-21(19-18-13)10-12-3-1-5-16-9-12/h11-12,16H,1-10H2,(H,17,23)/t12-/m0/s1.
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide?
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 95149109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).