(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide

C21H26N4O2 — CID 9250304

IUPAC(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c1-17(20(26)23-21(27)22-16-18-8-4-2-5-9-18)24-12-14-25(15-13-24)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H2,22,23,26,27)/t17-/m1/s1
InChIKeyORBDQBJPAMRENH-QGZVFWFLSA-N
MW366.47 g/mol
LogP2.22
Rot. Bonds5

About (2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide

(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 9250304) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
PubChem CID9250304
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c1-17(20(26)23-21(27)22-16-18-8-4-2-5-9-18)24-12-14-25(15-13-24)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H2,22,23,26,27)/t17-/m1/s1
InChIKeyORBDQBJPAMRENH-QGZVFWFLSA-N
XLogP2.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460175
(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249441
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
(2S)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 9250301
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470639
N-(benzylcarbamoyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 16618539
N-(benzylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46630456
N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918549
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide (CID 9250304) is (2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide is C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is ORBDQBJPAMRENH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-17(20(26)23-21(27)22-16-18-8-4-2-5-9-18)24-12-14-25(15-13-24)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H2,22,23,26,27)/t17-/m1/s1.
What are the key properties of (2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide?
(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 366.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9250304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).