(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide

C22H29N3O2 — CID 98848186

IUPAC(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide
SMILESCC[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1C[C@H](C)O
InChIInChI=1S/C22H29N3O2/c1-3-21-16-25(14-13-24(21)15-17(2)26)22(27)23-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,17,21,26H,3,13-16H2,1-2H3,(H,23,27)/t17-,21+/m0/s1
InChIKeyUCHGZMFBWCEKSC-LAUBAEHRSA-N
MW367.49 g/mol
LogP3.66
Rot. Bonds5

About (3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide

(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide (PubChem CID 98848186) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide
PubChem CID98848186
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide
SMILESCC[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1C[C@H](C)O
InChIInChI=1S/C22H29N3O2/c1-3-21-16-25(14-13-24(21)15-17(2)26)22(27)23-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,17,21,26H,3,13-16H2,1-2H3,(H,23,27)/t17-,21+/m0/s1
InChIKeyUCHGZMFBWCEKSC-LAUBAEHRSA-N
XLogP3.66
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-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

2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride
CID 119880157
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 97027064
(2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 98791674
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide
CID 23992135
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
3-[(4-benzyl-3-ethylpiperazine-1-carbonyl)amino]propanoic acid
CID 122017912
3-ethyl-4-hydroxy-N-phenylpiperidine-1-carboxamide
CID 114510061
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide
CID 74243293

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide?
The IUPAC name of (3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide (CID 98848186) is (3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for (3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide?
The canonical SMILES for (3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide is CC[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1C[C@H](C)O.
What is the InChIKey of (3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide?
The InChIKey is UCHGZMFBWCEKSC-LAUBAEHRSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-21-16-25(14-13-24(21)15-17(2)26)22(27)23-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,17,21,26H,3,13-16H2,1-2H3,(H,23,27)/t17-,21+/m0/s1.
What are the key properties of (3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide?
(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 98848186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).