2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide

C23H29N3O2 — CID 126434276

IUPAC2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide
SMILESCC[C@@H]1CN(C(=O)c2cccc(-c3ccccc3C(N)=O)c2)CCN1C(C)C
InChIInChI=1S/C23H29N3O2/c1-4-19-15-25(12-13-26(19)16(2)3)23(28)18-9-7-8-17(14-18)20-10-5-6-11-21(20)22(24)27/h5-11,14,16,19H,4,12-13,15H2,1-3H3,(H2,24,27)/t19-/m1/s1
InChIKeyYOKRCMVDXPAMPV-LJQANCHMSA-N
MW379.50 g/mol
LogP3.40
Rot. Bonds5

About 2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide

2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide (PubChem CID 126434276) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide
PubChem CID126434276
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide
SMILESCC[C@@H]1CN(C(=O)c2cccc(-c3ccccc3C(N)=O)c2)CCN1C(C)C
InChIInChI=1S/C23H29N3O2/c1-4-19-15-25(12-13-26(19)16(2)3)23(28)18-9-7-8-17(14-18)20-10-5-6-11-21(20)22(24)27/h5-11,14,16,19H,4,12-13,15H2,1-3H3,(H2,24,27)/t19-/m1/s1
InChIKeyYOKRCMVDXPAMPV-LJQANCHMSA-N
XLogP3.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 70762011
[3-(dimethylamino)phenyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 96578559
2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide
CID 119069105
[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 96574836
[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 28954600
1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone
CID 119062026
(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 72911490
(3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide
CID 126442176
(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97142002
1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone
CID 119074298
[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 134800061
[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97204545

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of 2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide (CID 126434276) is 2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for 2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for 2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide is CC[C@@H]1CN(C(=O)c2cccc(-c3ccccc3C(N)=O)c2)CCN1C(C)C.
What is the InChIKey of 2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is YOKRCMVDXPAMPV-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-19-15-25(12-13-26(19)16(2)3)23(28)18-9-7-8-17(14-18)20-10-5-6-11-21(20)22(24)27/h5-11,14,16,19H,4,12-13,15H2,1-3H3,(H2,24,27)/t19-/m1/s1.
What are the key properties of 2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide?
2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 126434276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).