(2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide

C15H22N3O2+ — CID 8557739

IUPAC(2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide
SMILESCC1CC[NH+]([C@H](C(=O)NC(N)=O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O2/c1-11-7-9-18(10-8-11)13(14(19)17-15(16)20)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H3,16,17,19,20)/p+1/t13-/m0/s1
InChIKeyCTVVQLVDQLGYOM-ZDUSSCGKSA-O
MW276.36 g/mol
LogP0.24
Rot. Bonds3

About (2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide

(2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide (PubChem CID 8557739) has the molecular formula C15H22N3O2+ and a molecular weight of 276.36 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide
PubChem CID8557739
Molecular FormulaC15H22N3O2+
Molecular Weight276.36 g/mol
Exact Mass276.17
IUPAC Name(2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide
SMILESCC1CC[NH+]([C@H](C(=O)NC(N)=O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O2/c1-11-7-9-18(10-8-11)13(14(19)17-15(16)20)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H3,16,17,19,20)/p+1/t13-/m0/s1
InChIKeyCTVVQLVDQLGYOM-ZDUSSCGKSA-O
XLogP0.24
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide
CID 8557661
(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetate
CID 6965689
(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-carbamoyl-2-phenylacetamide
CID 8832281
(2S)-N-carbamoyl-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 8557740
N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide
CID 9051562
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689
2-(benzhydrylamino)-N-carbamoylpropanamide
CID 42915569
(2S)-N-cyclopropyl-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 9035564
(3S)-1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxamide
CID 9267869
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8516766
N-carbamoyl-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 46643095
(2S)-4-(4-methylpiperidin-1-ium-1-yl)-3-oxo-2-phenylbutanenitrile
CID 7389120

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide?
The IUPAC name of (2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide (CID 8557739) is (2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide is CC1CC[NH+]([C@H](C(=O)NC(N)=O)c2ccccc2)CC1.
What is the InChIKey of (2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide?
The InChIKey is CTVVQLVDQLGYOM-ZDUSSCGKSA-O. The full InChI is InChI=1S/C15H21N3O2/c1-11-7-9-18(10-8-11)13(14(19)17-15(16)20)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H3,16,17,19,20)/p+1/t13-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide?
(2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide has a molecular weight of 276.36 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide is sourced from PubChem (CID 8557739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).