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

C25H32N4O — CID 67590090

IUPAC[3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCCCCC1NCCN(C(=O)c2cccc3ccccc23)C1C(CC)c1cnc[nH]1
InChIInChI=1S/C25H32N4O/c1-3-5-13-22-24(19(4-2)23-16-26-17-28-23)29(15-14-27-22)25(30)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,16-17,19,22,24,27H,3-5,13-15H2,1-2H3,(H,26,28)
InChIKeyNXPLMSKLCDYIAW-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.73
Rot. Bonds7

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

[3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 67590090) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is [3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID67590090
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name[3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCCCCC1NCCN(C(=O)c2cccc3ccccc23)C1C(CC)c1cnc[nH]1
InChIInChI=1S/C25H32N4O/c1-3-5-13-22-24(19(4-2)23-16-26-17-28-23)29(15-14-27-22)25(30)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,16-17,19,22,24,27H,3-5,13-15H2,1-2H3,(H,26,28)
InChIKeyNXPLMSKLCDYIAW-UHFFFAOYSA-N
XLogP4.73
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-butyl-2-[1-(1H-imidazol-5-yl)propyl]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-butylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 56993036
[3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 11603248
[(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 15390969
[4-butyl-4-[(1S)-2-(4-fluorophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazin-4-ium-1-yl]-naphthalen-1-ylmethanone
CID 91323669
4-[2-(1H-imidazol-5-yl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethyl]benzonitrile;dihydrochloride
CID 70105641
[(3S)-3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 22941044
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
1H-imidazol-5-yl(naphthalen-1-yl)methanol
CID 10376336
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-naphthalen-1-ylmethanone
CID 43594720
2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 10549323
[(3S)-3-butyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone;dihydrochloride
CID 22941045
(2-ethyl-4-phenylpiperazin-1-yl)-isoquinolin-8-ylmethanone
CID 166239852

Frequently Asked Questions

What is the IUPAC name of [3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone (CID 67590090) is [3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone is CCCCC1NCCN(C(=O)c2cccc3ccccc23)C1C(CC)c1cnc[nH]1.
What is the InChIKey of [3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is NXPLMSKLCDYIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-3-5-13-22-24(19(4-2)23-16-26-17-28-23)29(15-14-27-22)25(30)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,16-17,19,22,24,27H,3-5,13-15H2,1-2H3,(H,26,28).
What are the key properties of [3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
[3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 404.56 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butyl-2-[1-(1H-imidazol-5-yl)propyl]piperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 67590090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).