1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide

C18H25N4O3+ — CID 9134780

IUPAC1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide
SMILESC[C@@H](C(=O)N1CCNC1=O)[NH+]1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H24N4O3/c1-13(17(24)22-12-9-19-18(22)25)21-10-7-14(8-11-21)16(23)20-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,25)(H,20,23)/p+1/t13-/m0/s1
InChIKeySHUMXAMHVBHGFH-ZDUSSCGKSA-O
MW345.42 g/mol
LogP-0.14
Rot. Bonds4

About 1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide

1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide (PubChem CID 9134780) has the molecular formula C18H25N4O3+ and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide
PubChem CID9134780
Molecular FormulaC18H25N4O3+
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide
SMILESC[C@@H](C(=O)N1CCNC1=O)[NH+]1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H24N4O3/c1-13(17(24)22-12-9-19-18(22)25)21-10-7-14(8-11-21)16(23)20-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,25)(H,20,23)/p+1/t13-/m0/s1
InChIKeySHUMXAMHVBHGFH-ZDUSSCGKSA-O
XLogP-0.14
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]imidazolidin-2-one
CID 8754338
1-[(2S)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one
CID 8549926
1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one
CID 8595838
1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9134500
1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one
CID 8692344
1-[(2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]imidazolidin-2-one
CID 8541884
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
1-[(2R)-1-amino-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134531
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 78817808
4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672792
1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499825

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide (CID 9134780) is 1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide is C[C@@H](C(=O)N1CCNC1=O)[NH+]1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide?
The InChIKey is SHUMXAMHVBHGFH-ZDUSSCGKSA-O. The full InChI is InChI=1S/C18H24N4O3/c1-13(17(24)22-12-9-19-18(22)25)21-10-7-14(8-11-21)16(23)20-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,25)(H,20,23)/p+1/t13-/m0/s1.
What are the key properties of 1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide?
1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide is sourced from PubChem (CID 9134780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).