N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C20H24N4O — CID 113213858

IUPACN-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24N4O/c25-19(22-16-20(9-10-20)17-6-2-1-3-7-17)24-14-12-23(13-15-24)18-8-4-5-11-21-18/h1-8,11H,9-10,12-16H2,(H,22,25)
InChIKeyREBPABQMVMIBIX-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.64
Rot. Bonds4

About N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 113213858) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID113213858
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24N4O/c25-19(22-16-20(9-10-20)17-6-2-1-3-7-17)24-14-12-23(13-15-24)18-8-4-5-11-21-18/h1-8,11H,9-10,12-16H2,(H,22,25)
InChIKeyREBPABQMVMIBIX-UHFFFAOYSA-N
XLogP2.64
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-phenylcyclopropyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 30303440
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 107838022
2-[[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 154843508
4-(3-cyano-2-pyridinyl)-N-[(1-phenylcyclobutyl)methyl]-1,4-diazepane-1-carboxamide
CID 86837353
4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
CID 138994397
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 51125406
N-[(1-phenylcyclopropyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 46699763
N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 113215447

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 113213858) is N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(NCC1(c2ccccc2)CC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is REBPABQMVMIBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-19(22-16-20(9-10-20)17-6-2-1-3-7-17)24-14-12-23(13-15-24)18-8-4-5-11-21-18/h1-8,11H,9-10,12-16H2,(H,22,25).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113213858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).