(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide

C23H30N4O2 — CID 30637178

IUPAC(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-18-8-6-7-11-21(18)25-23(29)19(2)27-14-12-26(13-15-27)17-22(28)24-16-20-9-4-3-5-10-20/h3-11,19H,12-17H2,1-2H3,(H,24,28)(H,25,29)/t19-/m0/s1
InChIKeyCINOPTWGQZQGOW-IBGZPJMESA-N
MW394.52 g/mol
LogP2.26
Rot. Bonds7

About (2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide

(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide (PubChem CID 30637178) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
PubChem CID30637178
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-18-8-6-7-11-21(18)25-23(29)19(2)27-14-12-26(13-15-27)17-22(28)24-16-20-9-4-3-5-10-20/h3-11,19H,12-17H2,1-2H3,(H,24,28)(H,25,29)/t19-/m0/s1
InChIKeyCINOPTWGQZQGOW-IBGZPJMESA-N
XLogP2.26
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 24596402
(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8773224
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 9434357
N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 141035294
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55494767
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78835231
(2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 30736001
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
CID 51334142
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55565664
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide
CID 42949605

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide (CID 30637178) is (2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)[C@H](C)N1CCN(CC(=O)NCc2ccccc2)CC1.
What is the InChIKey of (2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is CINOPTWGQZQGOW-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-8-6-7-11-21(18)25-23(29)19(2)27-14-12-26(13-15-27)17-22(28)24-16-20-9-4-3-5-10-20/h3-11,19H,12-17H2,1-2H3,(H,24,28)(H,25,29)/t19-/m0/s1.
What are the key properties of (2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide?
(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 394.52 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 30637178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).