(2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide

C15H21N3O3 — CID 95811271

IUPAC(2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide
SMILESCOc1ccc(CN2CCN(C(C)=O)[C@H](C(N)=O)C2)cc1
InChIInChI=1S/C15H21N3O3/c1-11(19)18-8-7-17(10-14(18)15(16)20)9-12-3-5-13(21-2)6-4-12/h3-6,14H,7-10H2,1-2H3,(H2,16,20)/t14-/m0/s1
InChIKeyQACIGOJNTSVDMT-AWEZNQCLSA-N
MW291.35 g/mol
LogP0.21
Rot. Bonds4

About (2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide

(2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide (PubChem CID 95811271) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide
PubChem CID95811271
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide
SMILESCOc1ccc(CN2CCN(C(C)=O)[C@H](C(N)=O)C2)cc1
InChIInChI=1S/C15H21N3O3/c1-11(19)18-8-7-17(10-14(18)15(16)20)9-12-3-5-13(21-2)6-4-12/h3-6,14H,7-10H2,1-2H3,(H2,16,20)/t14-/m0/s1
InChIKeyQACIGOJNTSVDMT-AWEZNQCLSA-N
XLogP0.21
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
(2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide
CID 124952150
(2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide
CID 124972311
1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone
CID 110109739
[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
CID 155160735
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
(2S)-1-acetyl-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide
CID 125001338
1-[6-[(4-methoxyphenyl)methyl]-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-1-yl]ethanone
CID 131643867
(2S)-2-hydroxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489219
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate
CID 46898261
1-[(2S)-4-[(4-fluorophenyl)methyl]-2-(methoxymethyl)piperazin-1-yl]ethanone
CID 141137845

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide (CID 95811271) is (2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide is COc1ccc(CN2CCN(C(C)=O)[C@H](C(N)=O)C2)cc1.
What is the InChIKey of (2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide?
The InChIKey is QACIGOJNTSVDMT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(19)18-8-7-17(10-14(18)15(16)20)9-12-3-5-13(21-2)6-4-12/h3-6,14H,7-10H2,1-2H3,(H2,16,20)/t14-/m0/s1.
What are the key properties of (2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide?
(2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 95811271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).