1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide

C28H54N4O2 — CID 13300503

IUPAC1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide
SMILESCCCCCCN1CCCC(C(=O)N(C)CCN(C)C(=O)C2CCCN(CCCCCC)C2)C1
InChIInChI=1S/C28H54N4O2/c1-5-7-9-11-17-31-19-13-15-25(23-31)27(33)29(3)21-22-30(4)28(34)26-16-14-20-32(24-26)18-12-10-8-6-2/h25-26H,5-24H2,1-4H3
InChIKeyKFBPBPGFFYKINL-UHFFFAOYSA-N
MW478.77 g/mol
LogP4.49
Rot. Bonds15

About 1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide

1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 13300503) has the molecular formula C28H54N4O2 and a molecular weight of 478.77 g/mol. Its IUPAC name is 1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide
PubChem CID13300503
Molecular FormulaC28H54N4O2
Molecular Weight478.77 g/mol
Exact Mass478.42
IUPAC Name1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide
SMILESCCCCCCN1CCCC(C(=O)N(C)CCN(C)C(=O)C2CCCN(CCCCCC)C2)C1
InChIInChI=1S/C28H54N4O2/c1-5-7-9-11-17-31-19-13-15-25(23-31)27(33)29(3)21-22-30(4)28(34)26-16-14-20-32(24-26)18-12-10-8-6-2/h25-26H,5-24H2,1-4H3
InChIKeyKFBPBPGFFYKINL-UHFFFAOYSA-N
XLogP4.49
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.77
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1'-(Decane-1,10-diyl)bis(N,N-diethylpiperidine-3-carboxamide)--hydrogen bromide (1/2)
CID 121330
1,5-Bis(3-methylpiperidin-1-yl)pentane-1,5-dione
CID 4576685
1,1'-(Hexane-1,6-diyl)bis(N,N-diethylpiperidine-3-carboxamide)--hydrogen bromide (1/2)
CID 121328
Ketone, 1-methyl-3-piperidyl piperidino
CID 218423
(Piperazine-1,4-diyl)bis((1-decylpiperidin-3-yl)methanone)--hydrogen iodide (1/2)
CID 3086275
3-Piperidinecarboxamide, N,N'-1,2-ethanediylbis(1-decyl-N-methyl-, dihydriodide
CID 13300501
N,N'-(Ethane-1,2-diyl)bis(1-hexyl-N-methylpiperidine-3-carboxamide)--hydrogen iodide (1/2)
CID 13300504
5-[(4-Ethyl-1-piperazinyl)carbonyl]-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-piperidinone
CID 24817736
N,N'-Bis(1-decylnipecotoyl)piperazine
CID 146247
N~1~,N~1'~-(Ethane-1,2-diyl)bis(N~1~-butyl-N~3~,N~3~-diethylpiperidine-1,3-dicarboxamide)
CID 218415
Nipecotamide, N,N'-ethylenebis(N-butyl-1-methyl-
CID 218425
Piperazine, 1,4-bis((1-hexyl-3-piperidinyl)carbonyl)-, dihydriodide
CID 3079901

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide (CID 13300503) is 1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide is CCCCCCN1CCCC(C(=O)N(C)CCN(C)C(=O)C2CCCN(CCCCCC)C2)C1.
What is the InChIKey of 1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is KFBPBPGFFYKINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4O2/c1-5-7-9-11-17-31-19-13-15-25(23-31)27(33)29(3)21-22-30(4)28(34)26-16-14-20-32(24-26)18-12-10-8-6-2/h25-26H,5-24H2,1-4H3.
What are the key properties of 1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide?
1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 478.77 g/mol, XLogP of 4.49, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 13300503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).