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

C10H20N4O — CID 79156203

IUPACN-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide
SMILES[H]/N=C(\N)CC(C)NC(=O)N1CCCCC1
InChIInChI=1S/C10H20N4O/c1-8(7-9(11)12)13-10(15)14-5-3-2-4-6-14/h8H,2-7H2,1H3,(H3,11,12)(H,13,15)
InChIKeyUWSMUDYSUXYXQO-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.90
Rot. Bonds3

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

N-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide (PubChem CID 79156203) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide
PubChem CID79156203
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide
SMILES[H]/N=C(\N)CC(C)NC(=O)N1CCCCC1
InChIInChI=1S/C10H20N4O/c1-8(7-9(11)12)13-10(15)14-5-3-2-4-6-14/h8H,2-7H2,1H3,(H3,11,12)(H,13,15)
InChIKeyUWSMUDYSUXYXQO-UHFFFAOYSA-N
XLogP0.90
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.90
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)-4-methylpiperidine-1-carboxamide
CID 79162512
N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
CID 96683108
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide
CID 79155299
N-[1-(dimethylamino)propan-2-yl]piperidine-1-carboxamide
CID 116657221
N-pent-4-yn-2-ylazepane-1-carboxamide
CID 115667497
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
3-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 55003133

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide (CID 79156203) is N-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide is [H]/N=C(\N)CC(C)NC(=O)N1CCCCC1.
What is the InChIKey of N-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide?
The InChIKey is UWSMUDYSUXYXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8(7-9(11)12)13-10(15)14-5-3-2-4-6-14/h8H,2-7H2,1H3,(H3,11,12)(H,13,15).
What are the key properties of N-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide?
N-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide has a molecular weight of 212.30 g/mol, XLogP of 0.90, 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)piperidine-1-carboxamide is sourced from PubChem (CID 79156203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).