N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide

C12H21N3O2 — CID 63121384

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCC(=O)NC2CC2)CCNCC1
InChIInChI=1S/C12H21N3O2/c1-12(4-6-13-7-5-12)11(17)14-8-10(16)15-9-2-3-9/h9,13H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyCMGITFJXJZYHJF-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.23
Rot. Bonds4

About N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide (PubChem CID 63121384) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide
PubChem CID63121384
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCC(=O)NC2CC2)CCNCC1
InChIInChI=1S/C12H21N3O2/c1-12(4-6-13-7-5-12)11(17)14-8-10(16)15-9-2-3-9/h9,13H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyCMGITFJXJZYHJF-UHFFFAOYSA-N
XLogP-0.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943977
N-(4-ethylcyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63122348
N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63123013
4-methyl-N-(4-propylcyclohexyl)piperidine-4-carboxamide
CID 63122402
N-[2-(dimethylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide
CID 63121296
N-cyclopropyl-2-(piperidin-4-ylamino)acetamide
CID 61016595
N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]propanamide
CID 63122079
N-[2-(cyclopropylamino)-2-oxoethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974234
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide
CID 63121651
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-4-carboxamide
CID 65119685
1-methyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 130163320
2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide (CID 63121384) is N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide is CC1(C(=O)NCC(=O)NC2CC2)CCNCC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is CMGITFJXJZYHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(4-6-13-7-5-12)11(17)14-8-10(16)15-9-2-3-9/h9,13H,2-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63121384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).