(2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide

C26H32N4O4 — CID 30172697

IUPAC(2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C26H32N4O4/c1-20(31)22-8-5-9-23(18-22)27-26(33)25(21-6-3-2-4-7-21)30-12-10-29(11-13-30)24(32)19-28-14-16-34-17-15-28/h2-9,18,25H,10-17,19H2,1H3,(H,27,33)/t25-/m0/s1
InChIKeyHYDIVLQRAROFQN-VWLOTQADSA-N
MW464.57 g/mol
LogP2.05
Rot. Bonds7

About (2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide

(2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 30172697) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID30172697
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name(2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C26H32N4O4/c1-20(31)22-8-5-9-23(18-22)27-26(33)25(21-6-3-2-4-7-21)30-12-10-29(11-13-30)24(32)19-28-14-16-34-17-15-28/h2-9,18,25H,10-17,19H2,1H3,(H,27,33)/t25-/m0/s1
InChIKeyHYDIVLQRAROFQN-VWLOTQADSA-N
XLogP2.05
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30628130
(2S)-N-(4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30735407
N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 55351073
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 51075038
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 46662933
N,N-diethyl-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 55498439
N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 55841686
N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469591
(2R)-N-(2-ethoxyphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30629328
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 8774686
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide (CID 30172697) is (2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide is CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)CN3CCOCC3)CC2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is HYDIVLQRAROFQN-VWLOTQADSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-20(31)22-8-5-9-23(18-22)27-26(33)25(21-6-3-2-4-7-21)30-12-10-29(11-13-30)24(32)19-28-14-16-34-17-15-28/h2-9,18,25H,10-17,19H2,1H3,(H,27,33)/t25-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide?
(2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 464.57 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 30172697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).