(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide

C23H31N3O — CID 9275101

IUPAC(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-3-14-24-23(27)19(2)25-15-17-26(18-16-25)22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,22H,3,14-18H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyHJUXYPZSCMNNHC-LJQANCHMSA-N
MW365.52 g/mol
LogP3.31
Rot. Bonds7

About (2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide

(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide (PubChem CID 9275101) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is (2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
PubChem CID9275101
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-3-14-24-23(27)19(2)25-15-17-26(18-16-25)22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,22H,3,14-18H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyHJUXYPZSCMNNHC-LJQANCHMSA-N
XLogP3.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide
CID 9275099
4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide
CID 133269505
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide
CID 9275115
2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide
CID 43461777
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide
CID 108820196
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 9430380
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 46630632
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136
(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide?
The IUPAC name of (2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide (CID 9275101) is (2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide.
What is the SMILES notation for (2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide?
The canonical SMILES for (2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide is CCCNC(=O)[C@@H](C)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide?
The InChIKey is HJUXYPZSCMNNHC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-14-24-23(27)19(2)25-15-17-26(18-16-25)22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,22H,3,14-18H2,1-2H3,(H,24,27)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide?
(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide has a molecular weight of 365.52 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide is sourced from PubChem (CID 9275101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).