N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide

C21H27N3O2 — CID 52738130

IUPACN-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESCc1cccc(OC[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-17-7-6-10-20(15-17)26-16-18(2)22-21(25)24-13-11-23(12-14-24)19-8-4-3-5-9-19/h3-10,15,18H,11-14,16H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyKOUJBLQPXJSNGJ-GOSISDBHSA-N
MW353.47 g/mol
LogP3.29
Rot. Bonds5

About N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide

N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 52738130) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide
PubChem CID52738130
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESCc1cccc(OC[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-17-7-6-10-20(15-17)26-16-18(2)22-21(25)24-13-11-23(12-14-24)19-8-4-3-5-9-19/h3-10,15,18H,11-14,16H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyKOUJBLQPXJSNGJ-GOSISDBHSA-N
XLogP3.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide 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

N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 60568058
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 94503636
3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 110903274
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate
CID 8910389
2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 111428052
4-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112969930
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 51291225
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 52515078
3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide
CID 119950399
(2R,3R)-2,3-dihydroxy-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
CID 59134471
[4-(4-acetylpiperazin-1-yl)phenyl] 2-(3-methylphenoxy)acetate
CID 8867991
1-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119300012

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide (CID 52738130) is N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide is Cc1cccc(OC[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is KOUJBLQPXJSNGJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-7-6-10-20(15-17)26-16-18(2)22-21(25)24-13-11-23(12-14-24)19-8-4-3-5-9-19/h3-10,15,18H,11-14,16H2,1-2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 52738130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).