(2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide

C22H27N3O2 — CID 125435737

IUPAC(2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide
SMILESCC[C@H]1C(=O)NCCN1C(=O)NCC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-3-19-20(26)23-14-15-25(19)21(27)24-16-22(2,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,3,14-16H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeySSMOGZNZPWKHMF-IBGZPJMESA-N
MW365.48 g/mol
LogP2.91
Rot. Bonds5

About (2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide

(2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide (PubChem CID 125435737) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide
PubChem CID125435737
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide
SMILESCC[C@H]1C(=O)NCCN1C(=O)NCC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-3-19-20(26)23-14-15-25(19)21(27)24-16-22(2,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,3,14-16H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeySSMOGZNZPWKHMF-IBGZPJMESA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one
CID 110025296
(2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide
CID 95759828
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one
CID 63600480
3-ethyl-4-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperazin-2-one
CID 104896515
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
4-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-4-oxobutanoic acid
CID 63605268
4-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-4-oxobut-2-enoic acid
CID 77000526
N-(2-chloropropanoyl)-2-ethyl-3-oxopiperazine-1-carboxamide
CID 55215582
4-[3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 119184179

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide (CID 125435737) is (2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide is CC[C@H]1C(=O)NCCN1C(=O)NCC(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is SSMOGZNZPWKHMF-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-19-20(26)23-14-15-25(19)21(27)24-16-22(2,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,3,14-16H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide?
(2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 125435737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).