N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C19H21ClN4O — CID 113215447

IUPACN-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC1(c2ccc(Cl)cc2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H21ClN4O/c20-16-6-4-15(5-7-16)19(8-9-19)22-18(25)24-13-11-23(12-14-24)17-3-1-2-10-21-17/h1-7,10H,8-9,11-14H2,(H,22,25)
InChIKeyXIJYWBXLMWYNQH-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.26
Rot. Bonds3

About N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 113215447) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID113215447
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC NameN-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC1(c2ccc(Cl)cc2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H21ClN4O/c20-16-6-4-15(5-7-16)19(8-9-19)22-18(25)24-13-11-23(12-14-24)17-3-1-2-10-21-17/h1-7,10H,8-9,11-14H2,(H,22,25)
InChIKeyXIJYWBXLMWYNQH-UHFFFAOYSA-N
XLogP3.26
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108885377
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 113213858
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78768459
2-[2-(4-chlorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109002818
(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 107838022
2,2,2-trichloro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 885984
N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 94659172
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51143811
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 113215447) is N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(NC1(c2ccc(Cl)cc2)CC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is XIJYWBXLMWYNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c20-16-6-4-15(5-7-16)19(8-9-19)22-18(25)24-13-11-23(12-14-24)17-3-1-2-10-21-17/h1-7,10H,8-9,11-14H2,(H,22,25).
What are the key properties of N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 356.86 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113215447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).