1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid

C15H27N3O3 — CID 107164868

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCN1CCC(C)(CNC(=O)N2CCCCC2C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-15(6-9-17(2)10-7-15)11-16-14(21)18-8-4-3-5-12(18)13(19)20/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyNFGUUSGDPKIRJO-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds3

About 1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid

1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 107164868) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID107164868
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCN1CCC(C)(CNC(=O)N2CCCCC2C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-15(6-9-17(2)10-7-15)11-16-14(21)18-8-4-3-5-12(18)13(19)20/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyNFGUUSGDPKIRJO-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 114101416
1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
CID 61404205
1-(prop-2-ynylcarbamoyl)azepane-2-carboxylic acid
CID 64563682
4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholine-3-carboxylic acid
CID 82906238
1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350073
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104931998
1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192237
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61191761
1-[(2,2-dimethylcyclopropyl)carbamoyl]azepane-2-carboxylic acid
CID 64564491
1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid
CID 114239870

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid (CID 107164868) is 1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid is CN1CCC(C)(CNC(=O)N2CCCCC2C(=O)O)CC1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is NFGUUSGDPKIRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(6-9-17(2)10-7-15)11-16-14(21)18-8-4-3-5-12(18)13(19)20/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107164868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).