1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid

C14H24N2O4 — CID 61439374

IUPAC1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCN(CC1CCCO1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-2-15(10-12-4-3-9-20-12)14(19)16-7-5-11(6-8-16)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyDSINDJZHGHYGGR-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds4

About 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid

1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 61439374) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID61439374
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCN(CC1CCCO1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-2-15(10-12-4-3-9-20-12)14(19)16-7-5-11(6-8-16)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyDSINDJZHGHYGGR-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

N-ethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 115590777
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720413
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61439518
2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617844
2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61439282
1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid
CID 113468850
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61439519
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978575
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574
2-[2-[ethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569741
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid (CID 61439374) is 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid is CCN(CC1CCCO1)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is DSINDJZHGHYGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-15(10-12-4-3-9-20-12)14(19)16-7-5-11(6-8-16)13(17)18/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 61439374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).