N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide

C24H31N3O — CID 126539472

IUPACN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C24H31N3O/c1-2-23(28)27(22-11-7-4-8-12-22)20-24(13-14-24)26-17-15-25(16-18-26)19-21-9-5-3-6-10-21/h3-12H,2,13-20H2,1H3
InChIKeyYANSRRVRHSESOE-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.78
Rot. Bonds7

About N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide (PubChem CID 126539472) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide
PubChem CID126539472
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C24H31N3O/c1-2-23(28)27(22-11-7-4-8-12-22)20-24(13-14-24)26-17-15-25(16-18-26)19-21-9-5-3-6-10-21/h3-12H,2,13-20H2,1H3
InChIKeyYANSRRVRHSESOE-UHFFFAOYSA-N
XLogP3.78
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
CID 137371237
N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide
CID 137371248
1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea
CID 126507084
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-methoxyphenyl)propanamide
CID 126509200
N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide
CID 126539534
N-[[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]oxan-4-yl]methyl]-N-phenylpropanamide
CID 126539476
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(5-fluoro-3-pyridinyl)propanamide
CID 126508959
N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
CID 137371192
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide
CID 126508904
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-2-methoxy-N-phenylacetamide
CID 137371296
N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide
CID 139471542
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 137371452

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide?
The IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide (CID 126539472) is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide.
What is the SMILES notation for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide?
The canonical SMILES for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide is CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide?
The InChIKey is YANSRRVRHSESOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-2-23(28)27(22-11-7-4-8-12-22)20-24(13-14-24)26-17-15-25(16-18-26)19-21-9-5-3-6-10-21/h3-12H,2,13-20H2,1H3.
What are the key properties of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide?
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide has a molecular weight of 377.53 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide is sourced from PubChem (CID 126539472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).