(3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide

C17H26N3O2+ — CID 9305773

IUPAC(3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide
SMILESNC(=O)[C@@H]1CCC[NH+](CC(=O)NCCCc2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c18-17(22)15-9-5-11-20(12-15)13-16(21)19-10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,18,22)(H,19,21)/p+1/t15-/m1/s1
InChIKeyIRJVOSMBDPBLSP-OAHLLOKOSA-O
MW304.41 g/mol
LogP-0.48
Rot. Bonds7

About (3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide

(3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide (PubChem CID 9305773) has the molecular formula C17H26N3O2+ and a molecular weight of 304.41 g/mol. Its IUPAC name is (3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide
PubChem CID9305773
Molecular FormulaC17H26N3O2+
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name(3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide
SMILESNC(=O)[C@@H]1CCC[NH+](CC(=O)NCCCc2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c18-17(22)15-9-5-11-20(12-15)13-16(21)19-10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,18,22)(H,19,21)/p+1/t15-/m1/s1
InChIKeyIRJVOSMBDPBLSP-OAHLLOKOSA-O
XLogP-0.48
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 8545953
(3S)-1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 8546331
(3R)-1-[2-(2,6-difluoroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305502
(3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305182
(3S)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305589
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
4-(3-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748734
N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide
CID 7437027
(3S)-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]piperidin-1-ium-3-carboxamide
CID 9305311
azepan-1-yl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]methanone
CID 7344238
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-(3-phenylpropyl)acetamide
CID 8994010
3-phenylpropylurea;hydrochloride
CID 174579396

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide?
The IUPAC name of (3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide (CID 9305773) is (3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide?
The canonical SMILES for (3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide is NC(=O)[C@@H]1CCC[NH+](CC(=O)NCCCc2ccccc2)C1.
What is the InChIKey of (3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide?
The InChIKey is IRJVOSMBDPBLSP-OAHLLOKOSA-O. The full InChI is InChI=1S/C17H25N3O2/c18-17(22)15-9-5-11-20(12-15)13-16(21)19-10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,18,22)(H,19,21)/p+1/t15-/m1/s1.
What are the key properties of (3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide?
(3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide has a molecular weight of 304.41 g/mol, XLogP of -0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide is sourced from PubChem (CID 9305773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).