N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide

C23H30N4O2 — CID 30722668

IUPACN-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-18-8-10-21(11-9-18)25-23(29)17-27-14-12-26(13-15-27)16-22(28)24-19(2)20-6-4-3-5-7-20/h3-11,19H,12-17H2,1-2H3,(H,24,28)(H,25,29)/t19-/m0/s1
InChIKeyBJUFATYQEZJRHZ-IBGZPJMESA-N
MW394.52 g/mol
LogP2.43
Rot. Bonds7

About N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide

N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide (PubChem CID 30722668) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
PubChem CID30722668
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-18-8-10-21(11-9-18)25-23(29)17-27-14-12-26(13-15-27)16-22(28)24-19(2)20-6-4-3-5-7-20/h3-11,19H,12-17H2,1-2H3,(H,24,28)(H,25,29)/t19-/m0/s1
InChIKeyBJUFATYQEZJRHZ-IBGZPJMESA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 30723875
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
1-[2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 18089114
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323
4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54816800
2-[4-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719328
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51631928

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide (CID 30722668) is N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide?
The InChIKey is BJUFATYQEZJRHZ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-8-10-21(11-9-18)25-23(29)17-27-14-12-26(13-15-27)16-22(28)24-19(2)20-6-4-3-5-7-20/h3-11,19H,12-17H2,1-2H3,(H,24,28)(H,25,29)/t19-/m0/s1.
What are the key properties of N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide?
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30722668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).