3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid

C14H25N3O3 — CID 63135568

IUPAC3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN1CCC(NC(=O)N2CCCC(C)(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-14(12(18)19)6-3-7-17(10-14)13(20)15-11-4-8-16(2)9-5-11/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyBHGUHNNWZJHSNX-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds2

About 3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid

3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 63135568) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID63135568
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN1CCC(NC(=O)N2CCCC(C)(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-14(12(18)19)6-3-7-17(10-14)13(20)15-11-4-8-16(2)9-5-11/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyBHGUHNNWZJHSNX-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136585
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 114549111
1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 113475807
1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63138272
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
3-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63135667
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
1-[(4-methoxycyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017394
1-[(1-methylpiperidin-4-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983691
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
N-cyclobutyl-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 115872270

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid (CID 63135568) is 3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid is CN1CCC(NC(=O)N2CCCC(C)(C(=O)O)C2)CC1.
What is the InChIKey of 3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BHGUHNNWZJHSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(12(18)19)6-3-7-17(10-14)13(20)15-11-4-8-16(2)9-5-11/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63135568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).