4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide

C19H21ClN4O3 — CID 136577034

IUPAC4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C19H21ClN4O3/c1-27-17-7-6-16(13-21-17)22-19(26)24-10-8-23(9-11-24)18(25)12-14-2-4-15(20)5-3-14/h2-7,13H,8-12H2,1H3,(H,22,26)
InChIKeyJWLIEDSBKXQBSM-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.66
Rot. Bonds4

About 4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide

4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 136577034) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
PubChem CID136577034
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C19H21ClN4O3/c1-27-17-7-6-16(13-21-17)22-19(26)24-10-8-23(9-11-24)18(25)12-14-2-4-15(20)5-3-14/h2-7,13H,8-12H2,1H3,(H,22,26)
InChIKeyJWLIEDSBKXQBSM-UHFFFAOYSA-N
XLogP2.66
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide
CID 38274940
4-[(4-chlorophenyl)methyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,4-diazepane-1-carboxamide
CID 55743349
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide
CID 110810778
N-(3-chloro-4-methylphenyl)-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 55768358
4-[2-(4-chlorophenyl)acetyl]-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811576
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
1-[[6-(4-chlorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078011
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110365515
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 75479801
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 17478962

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide (CID 136577034) is 4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of 4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is JWLIEDSBKXQBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-27-17-7-6-16(13-21-17)22-19(26)24-10-8-23(9-11-24)18(25)12-14-2-4-15(20)5-3-14/h2-7,13H,8-12H2,1H3,(H,22,26).
What are the key properties of 4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide?
4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 136577034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).