1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C14H24N2O4 — CID 115451446

IUPAC1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCCOC1CCCN(C(=O)NCC2(C(=O)O)CC2)C1
InChIInChI=1S/C14H24N2O4/c1-2-8-20-11-4-3-7-16(9-11)13(19)15-10-14(5-6-14)12(17)18/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyFQXRLMPOXXTMCV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds6

About 1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451446) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451446
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCCOC1CCCN(C(=O)NCC2(C(=O)O)CC2)C1
InChIInChI=1S/C14H24N2O4/c1-2-8-20-11-4-3-7-16(9-11)13(19)15-10-14(5-6-14)12(17)18/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyFQXRLMPOXXTMCV-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115451446) is 1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is CCCOC1CCCN(C(=O)NCC2(C(=O)O)CC2)C1.
What is the InChIKey of 1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is FQXRLMPOXXTMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-8-20-11-4-3-7-16(9-11)13(19)15-10-14(5-6-14)12(17)18/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).