N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide

C11H22N4O — CID 79162512

IUPACN-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)CC(C)NC(=O)N1CCC(C)CC1
InChIInChI=1S/C11H22N4O/c1-8-3-5-15(6-4-8)11(16)14-9(2)7-10(12)13/h8-9H,3-7H2,1-2H3,(H3,12,13)(H,14,16)
InChIKeyKCNRDEPMXXUWMZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.14
Rot. Bonds3

About N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide

N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 79162512) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide
PubChem CID79162512
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)CC(C)NC(=O)N1CCC(C)CC1
InChIInChI=1S/C11H22N4O/c1-8-3-5-15(6-4-8)11(16)14-9(2)7-10(12)13/h8-9H,3-7H2,1-2H3,(H3,12,13)(H,14,16)
InChIKeyKCNRDEPMXXUWMZ-UHFFFAOYSA-N
XLogP1.14
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide
CID 79156203
N-[(2R)-1-aminopropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 96683106
N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 79159288
N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163420
4-methyl-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583839
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 116657977
3-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61191657
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
N-(3-ethylpentan-2-yl)-4-methylpiperidine-1-carboxamide
CID 115619164
methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 5027485
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573
N-(dicyclopropylmethyl)-4-methylpiperidine-1-carboxamide
CID 113224116

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide (CID 79162512) is N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide is [H]/N=C(\N)CC(C)NC(=O)N1CCC(C)CC1.
What is the InChIKey of N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is KCNRDEPMXXUWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-8-3-5-15(6-4-8)11(16)14-9(2)7-10(12)13/h8-9H,3-7H2,1-2H3,(H3,12,13)(H,14,16).
What are the key properties of N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide?
N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79162512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).