1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid

C16H22N2O4 — CID 122002152

IUPAC1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC(CNC(=O)N1CCC(C(=O)O)CC1)Oc1ccccc1
InChIInChI=1S/C16H22N2O4/c1-12(22-14-5-3-2-4-6-14)11-17-16(21)18-9-7-13(8-10-18)15(19)20/h2-6,12-13H,7-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyLCHLACKBLKSBED-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.96
Rot. Bonds5

About 1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid

1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 122002152) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID122002152
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC(CNC(=O)N1CCC(C(=O)O)CC1)Oc1ccccc1
InChIInChI=1S/C16H22N2O4/c1-12(22-14-5-3-2-4-6-14)11-17-16(21)18-9-7-13(8-10-18)15(19)20/h2-6,12-13H,7-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyLCHLACKBLKSBED-UHFFFAOYSA-N
XLogP1.96
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122004010
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
CID 122002158
1-[2-(4-bromophenoxy)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004339
1-(2-methoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 102699573
1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122962
N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111508484
4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672729
N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111509002
4-[2-(3-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673900
1-(2-phenylsulfanylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122004198
trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131961
trans-(1R,2R)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131962

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid (CID 122002152) is 1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid is CC(CNC(=O)N1CCC(C(=O)O)CC1)Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is LCHLACKBLKSBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(22-14-5-3-2-4-6-14)11-17-16(21)18-9-7-13(8-10-18)15(19)20/h2-6,12-13H,7-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid?
1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122002152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).