1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid

C14H25N3O3 — CID 114505369

IUPAC1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CN(C)CCC1NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H25N3O3/c1-10-8-16(2)7-5-12(10)15-14(20)17-6-3-4-11(9-17)13(18)19/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyFELAAHCRJNRNLI-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.83
Rot. Bonds2

About 1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid

1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 114505369) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID114505369
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CN(C)CCC1NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H25N3O3/c1-10-8-16(2)7-5-12(10)15-14(20)17-6-3-4-11(9-17)13(18)19/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyFELAAHCRJNRNLI-UHFFFAOYSA-N
XLogP0.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dimethylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 115598650
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114505769
1-[(2-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 82727888
(2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104931163
1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
(3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 81119833
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114505373
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid (CID 114505369) is 1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid is CC1CN(C)CCC1NC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FELAAHCRJNRNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10-8-16(2)7-5-12(10)15-14(20)17-6-3-4-11(9-17)13(18)19/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 114505369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).