1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide

C22H34N4O2 — CID 42957664

IUPAC1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)C1
InChIInChI=1S/C22H34N4O2/c1-18-6-3-8-21(16-18)25-14-12-24(13-15-25)10-5-9-23-22(28)20-7-4-11-26(17-20)19(2)27/h3,6,8,16,20H,4-5,7,9-15,17H2,1-2H3,(H,23,28)
InChIKeyJFEKLSANNUBUGP-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.88
Rot. Bonds6

About 1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide

1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide (PubChem CID 42957664) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide
PubChem CID42957664
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)C1
InChIInChI=1S/C22H34N4O2/c1-18-6-3-8-21(16-18)25-14-12-24(13-15-25)10-5-9-23-22(28)20-7-4-11-26(17-20)19(2)27/h3,6,8,16,20H,4-5,7,9-15,17H2,1-2H3,(H,23,28)
InChIKeyJFEKLSANNUBUGP-UHFFFAOYSA-N
XLogP1.88
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]piperidine-3-carboxamide
CID 42959855
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
1-ethylsulfonyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]piperidine-4-carboxamide
CID 55671400
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 38441347
(3S)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 38441199
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 60559969
2-methyl-1-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 75532336
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
N-[2-[[N-ethyl-N'-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927427
(2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
CID 94083611
2-methyl-N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylamino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 55662153

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide (CID 42957664) is 1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)C1.
What is the InChIKey of 1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide?
The InChIKey is JFEKLSANNUBUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-18-6-3-8-21(16-18)25-14-12-24(13-15-25)10-5-9-23-22(28)20-7-4-11-26(17-20)19(2)27/h3,6,8,16,20H,4-5,7,9-15,17H2,1-2H3,(H,23,28).
What are the key properties of 1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide?
1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 42957664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).