N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide

C11H20N4O3 — CID 116655745

IUPACN,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N(CC(N)=O)CC(N)=O)C1
InChIInChI=1S/C11H20N4O3/c1-8-3-2-4-14(5-8)11(18)15(6-9(12)16)7-10(13)17/h8H,2-7H2,1H3,(H2,12,16)(H2,13,17)
InChIKeyJTWHUVKYVNEJAU-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.89
Rot. Bonds4

About N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide

N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide (PubChem CID 116655745) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
PubChem CID116655745
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC NameN,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N(CC(N)=O)CC(N)=O)C1
InChIInChI=1S/C11H20N4O3/c1-8-3-2-4-14(5-8)11(18)15(6-9(12)16)7-10(13)17/h8H,2-7H2,1H3,(H2,12,16)(H2,13,17)
InChIKeyJTWHUVKYVNEJAU-UHFFFAOYSA-N
XLogP-0.89
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(cyclopropylmethyl)-3-methylpiperidine-1-carboxamide
CID 116656196
(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103103373
3-methylpiperidine-1-carboxamide
CID 16786142
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79159462
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide
CID 79162694
N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79163510
methyl 3-[ethyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162855
2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107438970
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
CID 79163135
N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
CID 103101659
3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 116655130

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide (CID 116655745) is N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)N(CC(N)=O)CC(N)=O)C1.
What is the InChIKey of N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is JTWHUVKYVNEJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-8-3-2-4-14(5-8)11(18)15(6-9(12)16)7-10(13)17/h8H,2-7H2,1H3,(H2,12,16)(H2,13,17).
What are the key properties of N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide?
N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 116655745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).