1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid

C15H25N3O3 — CID 63140475

IUPAC1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC(=O)N(C)CCC#N)C1
InChIInChI=1S/C15H25N3O3/c1-3-6-15(14(20)21)7-4-10-18(12-15)11-13(19)17(2)9-5-8-16/h3-7,9-12H2,1-2H3,(H,20,21)
InChIKeyRQYZJVLWOAJNAF-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.33
Rot. Bonds7

About 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid

1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 63140475) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID63140475
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC(=O)N(C)CCC#N)C1
InChIInChI=1S/C15H25N3O3/c1-3-6-15(14(20)21)7-4-10-18(12-15)11-13(19)17(2)9-5-8-16/h3-7,9-12H2,1-2H3,(H,20,21)
InChIKeyRQYZJVLWOAJNAF-UHFFFAOYSA-N
XLogP1.33
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63152235
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140743
N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide
CID 63160697
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437234
1-[2-(dimethylamino)-2-oxoethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136962
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 43214011
N-(2-cyanoethyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)acetamide
CID 62989015
1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140844
N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide
CID 54985060
N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide
CID 166211933
1-(2-cyano-3,3,3-trifluoropropyl)-3-propylpiperidine-3-carboxylic acid
CID 103371544

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid (CID 63140475) is 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(CC(=O)N(C)CCC#N)C1.
What is the InChIKey of 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is RQYZJVLWOAJNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-6-15(14(20)21)7-4-10-18(12-15)11-13(19)17(2)9-5-8-16/h3-7,9-12H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid?
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63140475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).