(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid

C14H24N2O4 — CID 81126391

IUPAC(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN(CC1CCCCO1)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-15(10-12-6-2-3-8-20-12)14(19)16-7-4-5-11(9-16)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)/t11-,12?/m0/s1
InChIKeyZPVCMAQXEYHDSS-PXYINDEMSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds3

About (3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81126391) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81126391
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN(CC1CCCCO1)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-15(10-12-6-2-3-8-20-12)14(19)16-7-4-5-11(9-16)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)/t11-,12?/m0/s1
InChIKeyZPVCMAQXEYHDSS-PXYINDEMSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126254
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 114950906
(3R)-1-[2-cyanoethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120881
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 79385471
trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 98787224
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79315373
3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55236563
1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 105419749

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid (CID 81126391) is (3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid is CN(CC1CCCCO1)C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is ZPVCMAQXEYHDSS-PXYINDEMSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-15(10-12-6-2-3-8-20-12)14(19)16-7-4-5-11(9-16)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)/t11-,12?/m0/s1.
What are the key properties of (3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81126391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).