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

C23H28N4O — CID 11603248

IUPAC[3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCCCCC1CN(C(=O)c2cccc3ccccc23)CCN1Cc1cnc[nH]1
InChIInChI=1S/C23H28N4O/c1-2-3-9-20-16-27(13-12-26(20)15-19-14-24-17-25-19)23(28)22-11-6-8-18-7-4-5-10-21(18)22/h4-8,10-11,14,17,20H,2-3,9,12-13,15-16H2,1H3,(H,24,25)
InChIKeyKPFZRSHCCBNZOG-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.08
Rot. Bonds6

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

[3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 11603248) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID11603248
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name[3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCCCCC1CN(C(=O)c2cccc3ccccc23)CCN1Cc1cnc[nH]1
InChIInChI=1S/C23H28N4O/c1-2-3-9-20-16-27(13-12-26(20)15-19-14-24-17-25-19)23(28)22-11-6-8-18-7-4-5-10-21(18)22/h4-8,10-11,14,17,20H,2-3,9,12-13,15-16H2,1H3,(H,24,25)
InChIKeyKPFZRSHCCBNZOG-UHFFFAOYSA-N
XLogP4.08
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(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-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 15390969
[(3S)-3-butyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone;dihydrochloride
CID 22941045
[(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 15390963
2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 10549323
[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
(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
[(3S)-4-[(2R)-2-amino-3-hydroxypropyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 172716930
[4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 11663795
[(3S)-1-(1H-imidazol-5-ylmethyl)-3-(2-methylsulfanylethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone
CID 11712930

Frequently Asked Questions

What is the IUPAC name of [3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone (CID 11603248) is [3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone is CCCCC1CN(C(=O)c2cccc3ccccc23)CCN1Cc1cnc[nH]1.
What is the InChIKey of [3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is KPFZRSHCCBNZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-2-3-9-20-16-27(13-12-26(20)15-19-14-24-17-25-19)23(28)22-11-6-8-18-7-4-5-10-21(18)22/h4-8,10-11,14,17,20H,2-3,9,12-13,15-16H2,1H3,(H,24,25).
What are the key properties of [3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
[3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 376.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 11603248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).