1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide

C21H31N3O2 — CID 108978115

IUPAC1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CCNC(=O)C1(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H31N3O2/c1-17(2)8-11-22-19(25)21(9-10-21)20(26)24-14-12-23(13-15-24)16-18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3,(H,22,25)
InChIKeyMYYCMQOZXWHOSQ-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.27
Rot. Bonds7

About 1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide

1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide (PubChem CID 108978115) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
PubChem CID108978115
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CCNC(=O)C1(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H31N3O2/c1-17(2)8-11-22-19(25)21(9-10-21)20(26)24-14-12-23(13-15-24)16-18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3,(H,22,25)
InChIKeyMYYCMQOZXWHOSQ-UHFFFAOYSA-N
XLogP2.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-benzylpiperazin-1-yl)-2,2-dimethyl-N-(3-methylbutyl)-3-oxopropanamide
CID 108964802
1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974583
1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108974430
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
CID 143244837
(4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone
CID 109159553
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970257
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956
1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096934
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108977101
[4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone
CID 70312560
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide (CID 108978115) is 1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide is CC(C)CCNC(=O)C1(C(=O)N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The InChIKey is MYYCMQOZXWHOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-17(2)8-11-22-19(25)21(9-10-21)20(26)24-14-12-23(13-15-24)16-18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3,(H,22,25).
What are the key properties of 1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide?
1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108978115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).