N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide

C19H29N3O — CID 38440971

IUPACN-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
SMILESCc1cccc(N2CCN(CCCNC(=O)C3CCC3)CC2)c1
InChIInChI=1S/C19H29N3O/c1-16-5-2-8-18(15-16)22-13-11-21(12-14-22)10-4-9-20-19(23)17-6-3-7-17/h2,5,8,15,17H,3-4,6-7,9-14H2,1H3,(H,20,23)
InChIKeyCJUYNUGMGBSICT-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.42
Rot. Bonds6

About N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide

N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide (PubChem CID 38440971) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
PubChem CID38440971
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
SMILESCc1cccc(N2CCN(CCCNC(=O)C3CCC3)CC2)c1
InChIInChI=1S/C19H29N3O/c1-16-5-2-8-18(15-16)22-13-11-21(12-14-22)10-4-9-20-19(23)17-6-3-7-17/h2,5,8,15,17H,3-4,6-7,9-14H2,1H3,(H,20,23)
InChIKeyCJUYNUGMGBSICT-UHFFFAOYSA-N
XLogP2.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide
CID 42957664
1-ethylsulfonyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]piperidine-4-carboxamide
CID 55671400
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]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 38441347
N-[2-[[N-ethyl-N'-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927427
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclopropanecarboxamide
CID 51114169
N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86899023
2-methyl-1-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 75532336
(3S)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 38441199
(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 N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide (CID 38440971) is N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide is Cc1cccc(N2CCN(CCCNC(=O)C3CCC3)CC2)c1.
What is the InChIKey of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide?
The InChIKey is CJUYNUGMGBSICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-16-5-2-8-18(15-16)22-13-11-21(12-14-22)10-4-9-20-19(23)17-6-3-7-17/h2,5,8,15,17H,3-4,6-7,9-14H2,1H3,(H,20,23).
What are the key properties of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide?
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 38440971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).