(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid

C15H28N2O4 — CID 81118499

IUPAC(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC(CC)N(CCOC)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H28N2O4/c1-4-13(5-2)17(9-10-21-3)15(20)16-8-6-7-12(11-16)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyGXZGNRYJNWIGRN-LBPRGKRZSA-N
MW300.40 g/mol
LogP2.04
Rot. Bonds7

About (3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81118499) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is (3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81118499
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC(CC)N(CCOC)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H28N2O4/c1-4-13(5-2)17(9-10-21-3)15(20)16-8-6-7-12(11-16)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyGXZGNRYJNWIGRN-LBPRGKRZSA-N
XLogP2.04
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120208
1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55150270
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63286603
1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030368
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
1-[2-methoxyethyl(pentan-3-yl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377381
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 54998929
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
1-(5-methoxypentanoyl)piperidine-3-carboxylic acid
CID 119167281
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 116655031
1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
CID 120512637

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid (CID 81118499) is (3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid is CCC(CC)N(CCOC)C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is GXZGNRYJNWIGRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-13(5-2)17(9-10-21-3)15(20)16-8-6-7-12(11-16)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81118499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).