[(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone

C24H30N4O — CID 15390969

IUPAC[(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCCCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1CCc1cnc[nH]1
InChIInChI=1S/C24H30N4O/c1-2-3-9-21-17-28(15-14-27(21)13-12-20-16-25-18-26-20)24(29)23-11-6-8-19-7-4-5-10-22(19)23/h4-8,10-11,16,18,21H,2-3,9,12-15,17H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyKTLHLXSJEQRAKO-NRFANRHFSA-N
MW390.53 g/mol
LogP4.12
Rot. Bonds7

About [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone

[(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 15390969) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID15390969
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name[(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCCCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1CCc1cnc[nH]1
InChIInChI=1S/C24H30N4O/c1-2-3-9-21-17-28(15-14-27(21)13-12-20-16-25-18-26-20)24(29)23-11-6-8-19-7-4-5-10-22(19)23/h4-8,10-11,16,18,21H,2-3,9,12-15,17H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyKTLHLXSJEQRAKO-NRFANRHFSA-N
XLogP4.12
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-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

[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
[(3S)-3-butyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone;dihydrochloride
CID 22941045
2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 10549323
[(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 15390963
[3-butyl-4-[[5-[(4-nitrophenyl)methyl]-1H-imidazol-2-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 57273898
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
(3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 56993036
[3-butyl-4-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 57161066
[4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 11663795
[(3S)-4-[(2R)-2-amino-3-sulfanylpropyl]-3-(2-propoxyethyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 22884059

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone (CID 15390969) is [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone is CCCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1CCc1cnc[nH]1.
What is the InChIKey of [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is KTLHLXSJEQRAKO-NRFANRHFSA-N. The full InChI is InChI=1S/C24H30N4O/c1-2-3-9-21-17-28(15-14-27(21)13-12-20-16-25-18-26-20)24(29)23-11-6-8-19-7-4-5-10-22(19)23/h4-8,10-11,16,18,21H,2-3,9,12-15,17H2,1H3,(H,25,26)/t21-/m0/s1.
What are the key properties of [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
[(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 390.53 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 15390969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).