1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid

C14H26N2O3 — CID 43441505

IUPAC1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCC(C)N(C(=O)CN1CCC(C(=O)O)CC1)C(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)16(11(3)4)13(17)9-15-7-5-12(6-8-15)14(18)19/h10-12H,5-9H2,1-4H3,(H,18,19)
InChIKeySCKCPQQJMLCWEA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.43
Rot. Bonds5

About 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid

1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 43441505) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID43441505
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCC(C)N(C(=O)CN1CCC(C(=O)O)CC1)C(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)16(11(3)4)13(17)9-15-7-5-12(6-8-15)14(18)19/h10-12H,5-9H2,1-4H3,(H,18,19)
InChIKeySCKCPQQJMLCWEA-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid (CID 43441505) is 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid is CC(C)N(C(=O)CN1CCC(C(=O)O)CC1)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is SCKCPQQJMLCWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)16(11(3)4)13(17)9-15-7-5-12(6-8-15)14(18)19/h10-12H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43441505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).