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

C25H33N3O — CID 137371461

IUPACN-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)CC1(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C25H33N3O/c1-2-24(29)27(20-23-11-7-4-8-12-23)21-25(13-14-25)28-17-15-26(16-18-28)19-22-9-5-3-6-10-22/h3-12H,2,13-21H2,1H3
InChIKeyOZXQHIYNACJCJT-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.78
Rot. Bonds8

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

N-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide (PubChem CID 137371461) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is N-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide
PubChem CID137371461
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC NameN-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)CC1(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C25H33N3O/c1-2-24(29)27(20-23-11-7-4-8-12-23)21-25(13-14-25)28-17-15-26(16-18-28)19-22-9-5-3-6-10-22/h3-12H,2,13-21H2,1H3
InChIKeyOZXQHIYNACJCJT-UHFFFAOYSA-N
XLogP3.78
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
Acetamide, N,N-bis(phenylmethyl)-
CID 82657
Methyl-AP-237
CID 6447699
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
1-(2-Phenylethyl)-4-(phenylmethyl)-2,6-piperazinedione
CID 2259642
(S)-2-Amino-4-dibenzylamino-1-piperidin-1-yl-butan-1-one
CID 11474019
N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide
CID 109018769
1-(4-Benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 718736

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide?
The IUPAC name of N-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide (CID 137371461) is N-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for N-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide?
The canonical SMILES for N-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide is CCC(=O)N(Cc1ccccc1)CC1(N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of N-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide?
The InChIKey is OZXQHIYNACJCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-2-24(29)27(20-23-11-7-4-8-12-23)21-25(13-14-25)28-17-15-26(16-18-28)19-22-9-5-3-6-10-22/h3-12H,2,13-21H2,1H3.
What are the key properties of N-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide?
N-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide has a molecular weight of 391.56 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 137371461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).