N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide

C12H24N4O — CID 79163603

IUPACN-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)CCCCNC(=O)N1CCCC(C)C1
InChIInChI=1S/C12H24N4O/c1-10-5-4-8-16(9-10)12(17)15-7-3-2-6-11(13)14/h10H,2-9H2,1H3,(H3,13,14)(H,15,17)
InChIKeyLQJKTXMOFKXIPW-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.53
Rot. Bonds5

About N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide

N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide (PubChem CID 79163603) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide
PubChem CID79163603
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)CCCCNC(=O)N1CCCC(C)C1
InChIInChI=1S/C12H24N4O/c1-10-5-4-8-16(9-10)12(17)15-7-3-2-6-11(13)14/h10H,2-9H2,1H3,(H3,13,14)(H,15,17)
InChIKeyLQJKTXMOFKXIPW-UHFFFAOYSA-N
XLogP1.53
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide
CID 79159564
N-(5-amino-5-iminopentyl)morpholine-4-carboxamide
CID 79152083
3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
CID 113234945
(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 106239155
3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide
CID 86811915
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 79162504
N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide
CID 79163504
N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
CID 60547179
N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboxamide
CID 79159286
N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide
CID 79163065

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide (CID 79163603) is N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide is [H]/N=C(\N)CCCCNC(=O)N1CCCC(C)C1.
What is the InChIKey of N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is LQJKTXMOFKXIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-10-5-4-8-16(9-10)12(17)15-7-3-2-6-11(13)14/h10H,2-9H2,1H3,(H3,13,14)(H,15,17).
What are the key properties of N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide?
N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79163603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).