[(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone

C30H34N4O — CID 15390963

IUPAC[(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCCCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1Cc1cncn1Cc1ccccc1
InChIInChI=1S/C30H34N4O/c1-2-3-14-26-21-33(30(35)29-16-9-13-25-12-7-8-15-28(25)29)18-17-32(26)22-27-19-31-23-34(27)20-24-10-5-4-6-11-24/h4-13,15-16,19,23,26H,2-3,14,17-18,20-22H2,1H3/t26-/m0/s1
InChIKeyBVPFWVMLSPTNSG-SANMLTNESA-N
MW466.63 g/mol
LogP5.60
Rot. Bonds8

About [(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone

[(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 15390963) has the molecular formula C30H34N4O and a molecular weight of 466.63 g/mol. Its IUPAC name is [(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID15390963
Molecular FormulaC30H34N4O
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC Name[(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCCCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1Cc1cncn1Cc1ccccc1
InChIInChI=1S/C30H34N4O/c1-2-3-14-26-21-33(30(35)29-16-9-13-25-12-7-8-15-28(25)29)18-17-32(26)22-27-19-31-23-34(27)20-24-10-5-4-6-11-24/h4-13,15-16,19,23,26H,2-3,14,17-18,20-22H2,1H3/t26-/m0/s1
InChIKeyBVPFWVMLSPTNSG-SANMLTNESA-N
XLogP5.60
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-butyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone;dihydrochloride
CID 22941045
[3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 11603248
[(3S)-3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 22941044
[3-butyl-4-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 57161066
[(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 15390969
butyl 2-[[(2S)-2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]methyl]aziridine-1-carboxylate
CID 22941020
[(3S)-4-[(2R)-2-amino-3-hydroxypropyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 172716930
naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone
CID 67612211
[3-butyl-4-[[5-[(4-nitrophenyl)methyl]-1H-imidazol-2-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 57273898
[4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 11663795
(3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 56993036
1-benzyl-5-butylimidazole
CID 10059100

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone (CID 15390963) is [(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone is CCCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1Cc1cncn1Cc1ccccc1.
What is the InChIKey of [(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is BVPFWVMLSPTNSG-SANMLTNESA-N. The full InChI is InChI=1S/C30H34N4O/c1-2-3-14-26-21-33(30(35)29-16-9-13-25-12-7-8-15-28(25)29)18-17-32(26)22-27-19-31-23-34(27)20-24-10-5-4-6-11-24/h4-13,15-16,19,23,26H,2-3,14,17-18,20-22H2,1H3/t26-/m0/s1.
What are the key properties of [(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone?
[(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 466.63 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 15390963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).