[4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone

C35H41N3O2 — CID 11663795

IUPAC[4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCCCCC1CN(C(=O)c2cccc3ccccc23)CCN1CC(N)Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C35H41N3O2/c1-2-3-17-31-25-38(35(39)33-19-11-16-28-14-7-9-18-32(28)33)22-21-37(31)24-30(36)23-29-15-8-10-20-34(29)40-26-27-12-5-4-6-13-27/h4-16,18-20,30-31H,2-3,17,21-26,36H2,1H3
InChIKeyAVXFQBJAVCGIFW-UHFFFAOYSA-N
MW535.73 g/mol
LogP6.31
Rot. Bonds11

About [4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone

[4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 11663795) has the molecular formula C35H41N3O2 and a molecular weight of 535.73 g/mol. Its IUPAC name is [4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID11663795
Molecular FormulaC35H41N3O2
Molecular Weight535.73 g/mol
Exact Mass535.32
IUPAC Name[4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCCCCC1CN(C(=O)c2cccc3ccccc23)CCN1CC(N)Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C35H41N3O2/c1-2-3-17-31-25-38(35(39)33-19-11-16-28-14-7-9-18-32(28)33)22-21-37(31)24-30(36)23-29-15-8-10-20-34(29)40-26-27-12-5-4-6-13-27/h4-16,18-20,30-31H,2-3,17,21-26,36H2,1H3
InChIKeyAVXFQBJAVCGIFW-UHFFFAOYSA-N
XLogP6.31
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.73
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-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)-4-[(2R)-2-amino-3-hydroxypropyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 172716930
[(3S)-4-[(2R)-2-amino-3-sulfanylpropyl]-3-(2-propoxyethyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 22884059
butyl 2-[[(2S)-2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]methyl]aziridine-1-carboxylate
CID 22941020
[(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
[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
[(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-[[5-[(4-nitrophenyl)methyl]-1H-imidazol-2-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 57273898
[3-butyl-4-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 57161066
2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one
CID 75418356
(3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 56993036

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone (CID 11663795) is [4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone is CCCCC1CN(C(=O)c2cccc3ccccc23)CCN1CC(N)Cc1ccccc1OCc1ccccc1.
What is the InChIKey of [4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is AVXFQBJAVCGIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N3O2/c1-2-3-17-31-25-38(35(39)33-19-11-16-28-14-7-9-18-32(28)33)22-21-37(31)24-30(36)23-29-15-8-10-20-34(29)40-26-27-12-5-4-6-13-27/h4-16,18-20,30-31H,2-3,17,21-26,36H2,1H3.
What are the key properties of [4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone?
[4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 535.73 g/mol, XLogP of 6.31, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-3-(2-phenylmethoxyphenyl)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 11663795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).