1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide

C20H38N4O2 — CID 13300496

IUPAC1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCCCCCNC(=O)C2CCCN(C)C2)C1
InChIInChI=1S/C20H38N4O2/c1-23-13-7-9-17(15-23)19(25)21-11-5-3-4-6-12-22-20(26)18-10-8-14-24(2)16-18/h17-18H,3-16H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyQIMMZGYAVPRQMN-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.46
Rot. Bonds9

About 1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide

1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide (PubChem CID 13300496) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide
PubChem CID13300496
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCCCCCNC(=O)C2CCCN(C)C2)C1
InChIInChI=1S/C20H38N4O2/c1-23-13-7-9-17(15-23)19(25)21-11-5-3-4-6-12-22-20(26)18-10-8-14-24(2)16-18/h17-18H,3-16H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyQIMMZGYAVPRQMN-UHFFFAOYSA-N
XLogP1.46
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethylpiperidine-3-carboxamide
CID 18793
1,1'-(Decane-1,10-diyl)bis(N,N-diethylpiperidine-3-carboxamide)--hydrogen bromide (1/2)
CID 121330
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 5099315
3-(Piperidine-1-carbonyl)piperidin-2-one
CID 2912701
1,1'-(Hexane-1,6-diyl)bis(N,N-diethylpiperidine-3-carboxamide)--hydrogen bromide (1/2)
CID 121328
Ketone, piperidino 3-piperidyl
CID 218422
N,N'-(Ethane-1,2-diyl)bis(1-hexyl-N-methylpiperidine-3-carboxamide)--hydrogen iodide (1/2)
CID 13300504
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4185001
N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 3317219
N-(2-{1-[(1-cyclopentyl-6-oxo-3-piperidinyl)carbonyl]-4-piperidinyl}ethyl)acetamide
CID 24817555
1-decyl-N-ethylpiperidine-3-carboxamide
CID 20208772
3,3'-(Piperazine-1,4-dicarbonyl)bis(piperidin-2-one)
CID 665083

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide (CID 13300496) is 1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide is CN1CCCC(C(=O)NCCCCCCNC(=O)C2CCCN(C)C2)C1.
What is the InChIKey of 1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide?
The InChIKey is QIMMZGYAVPRQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-23-13-7-9-17(15-23)19(25)21-11-5-3-4-6-12-22-20(26)18-10-8-14-24(2)16-18/h17-18H,3-16H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide?
1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide is sourced from PubChem (CID 13300496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).