N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide

C40H71BrN4O2 — CID 67872963

IUPACN-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide
SMILESBr.CCCCCCCCCCNC(=O)C1CCCN(Cc2ccc(CN3CCCC(C(=O)NCCCCCCCCCC)C3)cc2)C1
InChIInChI=1S/C40H70N4O2.BrH/c1-3-5-7-9-11-13-15-17-27-41-39(45)37-21-19-29-43(33-37)31-35-23-25-36(26-24-35)32-44-30-20-22-38(34-44)40(46)42-28-18-16-14-12-10-8-6-4-2;/h23-26,37-38H,3-22,27-34H2,1-2H3,(H,41,45)(H,42,46);1H
InChIKeyIYOYRKUTQVFGTA-UHFFFAOYSA-N
MW719.94 g/mol
LogP9.20
Rot. Bonds24

About N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide

N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide (PubChem CID 67872963) has the molecular formula C40H71BrN4O2 and a molecular weight of 719.94 g/mol. Its IUPAC name is N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide.

Molecular Properties

Compound NameN-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide
PubChem CID67872963
Molecular FormulaC40H71BrN4O2
Molecular Weight719.94 g/mol
Exact Mass718.48
IUPAC NameN-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide
SMILESBr.CCCCCCCCCCNC(=O)C1CCCN(Cc2ccc(CN3CCCC(C(=O)NCCCCCCCCCC)C3)cc2)C1
InChIInChI=1S/C40H70N4O2.BrH/c1-3-5-7-9-11-13-15-17-27-41-39(45)37-21-19-29-43(33-37)31-35-23-25-36(26-24-35)32-44-30-20-22-38(34-44)40(46)42-28-18-16-14-12-10-8-6-4-2;/h23-26,37-38H,3-22,27-34H2,1-2H3,(H,41,45)(H,42,46);1H
InChIKeyIYOYRKUTQVFGTA-UHFFFAOYSA-N
XLogP9.20
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.94
LogP ≤ 59.20
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

1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide
CID 43924572
N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 49441141
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924214
(3R)-1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92851220
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
1-[(4-bromophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 43924509
N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 10257104
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentylpiperidine-3-carboxamide
CID 43933796
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806

Frequently Asked Questions

What is the IUPAC name of N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide?
The IUPAC name of N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide (CID 67872963) is N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide.
What is the SMILES notation for N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide?
The canonical SMILES for N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide is Br.CCCCCCCCCCNC(=O)C1CCCN(Cc2ccc(CN3CCCC(C(=O)NCCCCCCCCCC)C3)cc2)C1.
What is the InChIKey of N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide?
The InChIKey is IYOYRKUTQVFGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H70N4O2.BrH/c1-3-5-7-9-11-13-15-17-27-41-39(45)37-21-19-29-43(33-37)31-35-23-25-36(26-24-35)32-44-30-20-22-38(34-44)40(46)42-28-18-16-14-12-10-8-6-4-2;/h23-26,37-38H,3-22,27-34H2,1-2H3,(H,41,45)(H,42,46);1H.
What are the key properties of N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide?
N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide has a molecular weight of 719.94 g/mol, XLogP of 9.20, 24 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide is sourced from PubChem (CID 67872963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).