N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide

C16H23N3O3 — CID 95234927

IUPACN-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)[C@@H](OC)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O3/c1-3-17-16(21)19-11-9-18(10-12-19)15(20)14(22-2)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyXSFTTWKCSPOJIS-AWEZNQCLSA-N
MW305.38 g/mol
LogP1.25
Rot. Bonds4

About N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide

N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide (PubChem CID 95234927) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
PubChem CID95234927
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)[C@@H](OC)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O3/c1-3-17-16(21)19-11-9-18(10-12-19)15(20)14(22-2)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyXSFTTWKCSPOJIS-AWEZNQCLSA-N
XLogP1.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[(2R)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234926
4-[(2R)-2-methoxy-2-phenylacetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 138806061
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
4-(3-amino-2-methyl-3-phenylpropanoyl)-N-ethylpiperazine-1-carboxamide
CID 119695716
1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone
CID 63337963
3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one
CID 94822095
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methoxy-2-phenylethanone
CID 63310259
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
CID 95577530
4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide
CID 157300457
N-(3-chlorophenyl)-4-(2-methoxy-2-phenylacetyl)-1,4-diazepane-1-carboxamide
CID 60608156
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 120655534
2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone
CID 90653649

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide (CID 95234927) is N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)[C@@H](OC)c2ccccc2)CC1.
What is the InChIKey of N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide?
The InChIKey is XSFTTWKCSPOJIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-17-16(21)19-11-9-18(10-12-19)15(20)14(22-2)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,17,21)/t14-/m0/s1.
What are the key properties of N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide?
N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide is sourced from PubChem (CID 95234927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).