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

C18H25ClN4O2 — CID 120770801

IUPAC1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CN2CCNCC2c2cccc(Cl)c2)C1
InChIInChI=1S/C18H25ClN4O2/c19-15-5-1-3-13(9-15)16-10-21-6-8-22(16)12-17(24)23-7-2-4-14(11-23)18(20)25/h1,3,5,9,14,16,21H,2,4,6-8,10-12H2,(H2,20,25)
InChIKeyDCAZLENVXWPLOF-UHFFFAOYSA-N
MW364.88 g/mol
LogP1.01
Rot. Bonds4

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

1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide (PubChem CID 120770801) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
PubChem CID120770801
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CN2CCNCC2c2cccc(Cl)c2)C1
InChIInChI=1S/C18H25ClN4O2/c19-15-5-1-3-13(9-15)16-10-21-6-8-22(16)12-17(24)23-7-2-4-14(11-23)18(20)25/h1,3,5,9,14,16,21H,2,4,6-8,10-12H2,(H2,20,25)
InChIKeyDCAZLENVXWPLOF-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

1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120757324
1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120757919
2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 120770750
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 120770787
4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride
CID 120770878
3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 120771094
2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 120757230
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 120771058

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide (CID 120770801) is 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CN2CCNCC2c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
The InChIKey is DCAZLENVXWPLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c19-15-5-1-3-13(9-15)16-10-21-6-8-22(16)12-17(24)23-7-2-4-14(11-23)18(20)25/h1,3,5,9,14,16,21H,2,4,6-8,10-12H2,(H2,20,25).
What are the key properties of 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
1-[2-[2-(3-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-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 120770801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).