1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid

C14H24N2O3 — CID 114278576

IUPAC1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(C(=O)N(C)CC2CCC2)CCC1C(=O)O
InChIInChI=1S/C14H24N2O3/c1-10-8-16(7-6-12(10)13(17)18)14(19)15(2)9-11-4-3-5-11/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyDUJHFIRXJGSSST-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.88
Rot. Bonds3

About 1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid

1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid (PubChem CID 114278576) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
PubChem CID114278576
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(C(=O)N(C)CC2CCC2)CCC1C(=O)O
InChIInChI=1S/C14H24N2O3/c1-10-8-16(7-6-12(10)13(17)18)14(19)15(2)9-11-4-3-5-11/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyDUJHFIRXJGSSST-UHFFFAOYSA-N
XLogP1.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085926
1-[cyclohexylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721123
4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63721852
(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126254
N-(cyclobutylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 115621970
1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
CID 112754583
1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382649
1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid
CID 112568039
1-[cyclohexylmethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782013
1-[cyclopentylmethyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071655
3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid
CID 63876978
4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid
CID 63706904

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid (CID 114278576) is 1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid is CC1CN(C(=O)N(C)CC2CCC2)CCC1C(=O)O.
What is the InChIKey of 1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid?
The InChIKey is DUJHFIRXJGSSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-8-16(7-6-12(10)13(17)18)14(19)15(2)9-11-4-3-5-11/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid?
1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 114278576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).