N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide

C22H27N3O2 — CID 126429089

IUPACN-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C22H27N3O2/c1-2-13-24-14-15-25(17-21(24)26)22(27)23-20(19-11-7-4-8-12-19)16-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeyHNCGKCBMMNUFKB-FQEVSTJZSA-N
MW365.48 g/mol
LogP3.23
Rot. Bonds6

About N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide

N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide (PubChem CID 126429089) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide
PubChem CID126429089
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C22H27N3O2/c1-2-13-24-14-15-25(17-21(24)26)22(27)23-20(19-11-7-4-8-12-19)16-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeyHNCGKCBMMNUFKB-FQEVSTJZSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
CID 70619630
N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide
CID 86880551
N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide
CID 87000159
N-(1,2-diphenylethyl)-1,4-thiazepane-4-carboxamide
CID 87000158
N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95306843
N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide
CID 125447213
N-(1,2-diphenylethyl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 119061556
4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027397
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
4-[[4-(2-methoxyethyl)-3-oxo-1,4-diazepane-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028017
N-(1,2-diphenylethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 75855427
N-(1,2-diphenylethyl)pentanamide
CID 134014505

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide (CID 126429089) is N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide is CCCN1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1=O.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide?
The InChIKey is HNCGKCBMMNUFKB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-13-24-14-15-25(17-21(24)26)22(27)23-20(19-11-7-4-8-12-19)16-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3,(H,23,27)/t20-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide?
N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide is sourced from PubChem (CID 126429089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).