3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid

C15H26N2O4 — CID 62215893

IUPAC3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H26N2O4/c18-13-7-4-11(5-8-13)16-15(21)17-10-2-1-3-12(17)6-9-14(19)20/h11-13,18H,1-10H2,(H,16,21)(H,19,20)
InChIKeyOVHCAXUUIBOXIO-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.72
Rot. Bonds4

About 3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid

3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 62215893) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid
PubChem CID62215893
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H26N2O4/c18-13-7-4-11(5-8-13)16-15(21)17-10-2-1-3-12(17)6-9-14(19)20/h11-13,18H,1-10H2,(H,16,21)(H,19,20)
InChIKeyOVHCAXUUIBOXIO-UHFFFAOYSA-N
XLogP1.72
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
2-(aminomethyl)-N-cyclopropylpiperidine-1-carboxamide
CID 62699493
3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 79872070
3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid
CID 62216026
3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62211691
3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 113485751
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62209945
2-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 63767696
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
(2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186326

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid (CID 62215893) is 3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is OVHCAXUUIBOXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-13-7-4-11(5-8-13)16-15(21)17-10-2-1-3-12(17)6-9-14(19)20/h11-13,18H,1-10H2,(H,16,21)(H,19,20).
What are the key properties of 3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid?
3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62215893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).