1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide

C18H25ClN4O2 — CID 120757324

IUPAC1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CN2CCNCC2c2ccccc2Cl)C1
InChIInChI=1S/C18H25ClN4O2/c19-15-6-2-1-5-14(15)16-10-21-7-9-22(16)12-17(24)23-8-3-4-13(11-23)18(20)25/h1-2,5-6,13,16,21H,3-4,7-12H2,(H2,20,25)
InChIKeyXILRXPXVKQYAAC-UHFFFAOYSA-N
MW364.88 g/mol
LogP1.01
Rot. Bonds4

About 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide

1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide (PubChem CID 120757324) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
PubChem CID120757324
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CN2CCNCC2c2ccccc2Cl)C1
InChIInChI=1S/C18H25ClN4O2/c19-15-6-2-1-5-14(15)16-10-21-7-9-22(16)12-17(24)23-8-3-4-13(11-23)18(20)25/h1-2,5-6,13,16,21H,3-4,7-12H2,(H2,20,25)
InChIKeyXILRXPXVKQYAAC-UHFFFAOYSA-N
XLogP1.01
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 120757230
1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120770801
1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120757919
1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120739124
1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 120739391
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120757474
2-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120757480
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 120757638
N-[1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 120753617
N-benzyl-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757524
N-(4-acetamidophenyl)-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757424

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide (CID 120757324) is 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CN2CCNCC2c2ccccc2Cl)C1.
What is the InChIKey of 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
The InChIKey is XILRXPXVKQYAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c19-15-6-2-1-5-14(15)16-10-21-7-9-22(16)12-17(24)23-8-3-4-13(11-23)18(20)25/h1-2,5-6,13,16,21H,3-4,7-12H2,(H2,20,25).
What are the key properties of 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide has a molecular weight of 364.88 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 120757324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).