1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid

C13H22N2O3 — CID 63123918

IUPAC1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-13(12(17)18)4-6-15(7-5-13)11(16)9-14-8-10-2-3-10/h10,14H,2-9H2,1H3,(H,17,18)
InChIKeyBKPNKGLTGZEBQA-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.70
Rot. Bonds5

About 1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid

1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123918) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63123918
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-13(12(17)18)4-6-15(7-5-13)11(16)9-14-8-10-2-3-10/h10,14H,2-9H2,1H3,(H,17,18)
InChIKeyBKPNKGLTGZEBQA-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65280938
2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163435
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
4-methyl-1-[2-(thian-4-yl)acetyl]piperidine-4-carboxylic acid
CID 83145290
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
CID 63123330
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride
CID 119697100
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid (CID 63123918) is 1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)CNCC2CC2)CC1.
What is the InChIKey of 1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is BKPNKGLTGZEBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(12(17)18)4-6-15(7-5-13)11(16)9-14-8-10-2-3-10/h10,14H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid?
1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).