(3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide

C20H24N4O3 — CID 97285383

IUPAC(3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)N1CCN[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H24N4O3/c1-14(25)22-16-8-9-19(27-2)17(12-16)23-20(26)24-11-10-21-18(13-24)15-6-4-3-5-7-15/h3-9,12,18,21H,10-11,13H2,1-2H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeySXPRYJGAVUZART-GOSISDBHSA-N
MW368.44 g/mol
LogP2.83
Rot. Bonds4

About (3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide

(3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide (PubChem CID 97285383) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide
PubChem CID97285383
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)N1CCN[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H24N4O3/c1-14(25)22-16-8-9-19(27-2)17(12-16)23-20(26)24-11-10-21-18(13-24)15-6-4-3-5-7-15/h3-9,12,18,21H,10-11,13H2,1-2H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeySXPRYJGAVUZART-GOSISDBHSA-N
XLogP2.83
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide
CID 72938413
N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888
ethyl 2-chloro-5-[(3-phenylpiperazine-1-carbonyl)amino]benzoate
CID 72880313
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
N-(2-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104934
N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide
CID 74231302
N-(3,4-dimethoxyphenyl)-3-phenylazepane-1-carboxamide
CID 90608592
N-(2-methoxy-5-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526391
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 142506558
3-chloro-1-(3-phenylpiperazin-1-yl)propan-1-one
CID 110480873
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide?
The IUPAC name of (3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide (CID 97285383) is (3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide.
What is the SMILES notation for (3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide?
The canonical SMILES for (3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)N1CCN[C@@H](c2ccccc2)C1.
What is the InChIKey of (3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide?
The InChIKey is SXPRYJGAVUZART-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14(25)22-16-8-9-19(27-2)17(12-16)23-20(26)24-11-10-21-18(13-24)15-6-4-3-5-7-15/h3-9,12,18,21H,10-11,13H2,1-2H3,(H,22,25)(H,23,26)/t18-/m1/s1.
What are the key properties of (3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide?
(3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 97285383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).