N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

C21H25ClN4O — CID 71768327

IUPACN-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)N(CC2CC2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4O/c1-16-3-2-10-23-20(16)24-11-13-25(14-12-24)21(27)26(15-17-4-5-17)19-8-6-18(22)7-9-19/h2-3,6-10,17H,4-5,11-15H2,1H3
InChIKeyFOSPVJDVVJYNSD-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.20
Rot. Bonds4

About N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 71768327) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID71768327
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC NameN-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)N(CC2CC2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4O/c1-16-3-2-10-23-20(16)24-11-13-25(14-12-24)21(27)26(15-17-4-5-17)19-8-6-18(22)7-9-19/h2-3,6-10,17H,4-5,11-15H2,1H3
InChIKeyFOSPVJDVVJYNSD-UHFFFAOYSA-N
XLogP4.20
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 71768327) is N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is Cc1cccnc1N1CCN(C(=O)N(CC2CC2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is FOSPVJDVVJYNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-16-3-2-10-23-20(16)24-11-13-25(14-12-24)21(27)26(15-17-4-5-17)19-8-6-18(22)7-9-19/h2-3,6-10,17H,4-5,11-15H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 71768327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).