1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid

C14H26N2O3 — CID 63125470

IUPAC1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CNC(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-4-5-14(13(18)19)6-8-16(9-7-14)12(17)10-15-11(2)3/h11,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyVBYDTVJDHPAOFA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds6

About 1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid

1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125470) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID63125470
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CNC(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-4-5-14(13(18)19)6-8-16(9-7-14)12(17)10-15-11(2)3/h11,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyVBYDTVJDHPAOFA-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-ylsulfanylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 63125609
1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63126073
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 79282003
1-hexanoyl-4-propylpiperidine-4-carboxylic acid
CID 55178926
1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145413
1-(tert-butylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125699
1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid
CID 104903455
1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125457
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid (CID 63125470) is 1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)CNC(C)C)CC1.
What is the InChIKey of 1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is VBYDTVJDHPAOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-5-14(13(18)19)6-8-16(9-7-14)12(17)10-15-11(2)3/h11,15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid?
1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).