1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid

C15H26N2O4 — CID 63135781

IUPAC1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)NCC2CCCO2)C1
InChIInChI=1S/C15H26N2O4/c1-2-6-15(13(18)19)7-4-8-17(11-15)14(20)16-10-12-5-3-9-21-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyQZTUZAYVFYWBEZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds5

About 1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid

1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63135781) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63135781
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)NCC2CCCO2)C1
InChIInChI=1S/C15H26N2O4/c1-2-6-15(13(18)19)7-4-8-17(11-15)14(20)16-10-12-5-3-9-21-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyQZTUZAYVFYWBEZ-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-2-ylmethylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63126704
1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63149610
1-(oxan-3-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63361782
1-[(2-amino-2-oxoethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 55165305
3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136471
1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 106191164
1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65162258
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid
CID 63227692
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid (CID 63135781) is 1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)NCC2CCCO2)C1.
What is the InChIKey of 1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is QZTUZAYVFYWBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-6-15(13(18)19)7-4-8-17(11-15)14(20)16-10-12-5-3-9-21-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63135781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).