4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide

C19H22ClN5O2 — CID 56762086

IUPAC4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NCc1ccncc1
InChIInChI=1S/C19H22ClN5O2/c20-16-1-3-17(4-2-16)24-9-11-25(12-10-24)19(27)23-14-18(26)22-13-15-5-7-21-8-6-15/h1-8H,9-14H2,(H,22,26)(H,23,27)
InChIKeyREORFSFEXMBNKN-UHFFFAOYSA-N
MW387.87 g/mol
LogP1.88
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide

4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide (PubChem CID 56762086) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide
PubChem CID56762086
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NCc1ccncc1
InChIInChI=1S/C19H22ClN5O2/c20-16-1-3-17(4-2-16)24-9-11-25(12-10-24)19(27)23-14-18(26)22-13-15-5-7-21-8-6-15/h1-8H,9-14H2,(H,22,26)(H,23,27)
InChIKeyREORFSFEXMBNKN-UHFFFAOYSA-N
XLogP1.88
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108763
4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108791
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86831395
methyl 4-[4-[(4-chlorophenyl)methylcarbamoyl]piperazin-1-yl]benzoate
CID 113107978
3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 100590839
4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 48515379
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
4-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108746
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
4-(5-chloro-2-pyridinyl)-N-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 75464215
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 44998680
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide (CID 56762086) is 4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide is O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NCc1ccncc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is REORFSFEXMBNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c20-16-1-3-17(4-2-16)24-9-11-25(12-10-24)19(27)23-14-18(26)22-13-15-5-7-21-8-6-15/h1-8H,9-14H2,(H,22,26)(H,23,27).
What are the key properties of 4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide?
4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 56762086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).