3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid

C15H20N2O3 — CID 62217135

IUPAC3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(19)10-9-13-8-4-5-11-17(13)15(20)16-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,20)(H,18,19)
InChIKeyOBFMQAVEAYVNQB-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.94
Rot. Bonds4

About 3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid

3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid (PubChem CID 62217135) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
PubChem CID62217135
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(19)10-9-13-8-4-5-11-17(13)15(20)16-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,20)(H,18,19)
InChIKeyOBFMQAVEAYVNQB-UHFFFAOYSA-N
XLogP2.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217205
3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62216964
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid
CID 120536874
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 107585962
3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217947
2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
CID 110601869
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
3-[4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenyl]propanoic acid
CID 115340776

Frequently Asked Questions

What is the IUPAC name of 3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid (CID 62217135) is 3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid?
The InChIKey is OBFMQAVEAYVNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)10-9-13-8-4-5-11-17(13)15(20)16-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,20)(H,18,19).
What are the key properties of 3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid?
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62217135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).