N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide

C24H38N4O2 — CID 86878613

IUPACN-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)NCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H38N4O2/c29-23(13-15-26-24(30)21-9-3-1-4-10-21)25-14-7-8-16-27-17-19-28(20-18-27)22-11-5-2-6-12-22/h2,5-6,11-12,21H,1,3-4,7-10,13-20H2,(H,25,29)(H,26,30)
InChIKeyCHYLSUMHCJOJSS-UHFFFAOYSA-N
MW414.59 g/mol
LogP2.79
Rot. Bonds10

About N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide

N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide (PubChem CID 86878613) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide
PubChem CID86878613
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC NameN-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)NCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H38N4O2/c29-23(13-15-26-24(30)21-9-3-1-4-10-21)25-14-7-8-16-27-17-19-28(20-18-27)22-11-5-2-6-12-22/h2,5-6,11-12,21H,1,3-4,7-10,13-20H2,(H,25,29)(H,26,30)
InChIKeyCHYLSUMHCJOJSS-UHFFFAOYSA-N
XLogP2.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86899023
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride
CID 119901932
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
N-[3-(4-phenylpiperazin-1-yl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 33134437
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944
2-methyl-N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylamino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 55662153
2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 55861372

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide (CID 86878613) is N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide is O=C(CCNC(=O)C1CCCCC1)NCCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide?
The InChIKey is CHYLSUMHCJOJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c29-23(13-15-26-24(30)21-9-3-1-4-10-21)25-14-7-8-16-27-17-19-28(20-18-27)22-11-5-2-6-12-22/h2,5-6,11-12,21H,1,3-4,7-10,13-20H2,(H,25,29)(H,26,30).
What are the key properties of N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide?
N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide has a molecular weight of 414.59 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 86878613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).