N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide

C34H58N4O2 — CID 10257104

IUPACN-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCCCCCCN(C)C(=O)C1CCCN(Cc2ccc(CN3CCCC(C(=O)N(C)CCCCCC)C3)cc2)C1
InChIInChI=1S/C34H58N4O2/c1-5-7-9-11-21-35(3)33(39)31-15-13-23-37(27-31)25-29-17-19-30(20-18-29)26-38-24-14-16-32(28-38)34(40)36(4)22-12-10-8-6-2/h17-20,31-32H,5-16,21-28H2,1-4H3
InChIKeyVASSRGYVSNRJNX-UHFFFAOYSA-N
MW554.86 g/mol
LogP6.19
Rot. Bonds16

About N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide

N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 10257104) has the molecular formula C34H58N4O2 and a molecular weight of 554.86 g/mol. Its IUPAC name is N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide
PubChem CID10257104
Molecular FormulaC34H58N4O2
Molecular Weight554.86 g/mol
Exact Mass554.46
IUPAC NameN-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCCCCCCN(C)C(=O)C1CCCN(Cc2ccc(CN3CCCC(C(=O)N(C)CCCCCC)C3)cc2)C1
InChIInChI=1S/C34H58N4O2/c1-5-7-9-11-21-35(3)33(39)31-15-13-23-37(27-31)25-29-17-19-30(20-18-29)26-38-24-14-16-32(28-38)34(40)36(4)22-12-10-8-6-2/h17-20,31-32H,5-16,21-28H2,1-4H3
InChIKeyVASSRGYVSNRJNX-UHFFFAOYSA-N
XLogP6.19
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.86
LogP ≤ 56.19
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

N,1-dimethyl-N-octylpiperidine-3-carboxamide
CID 14306886
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide
CID 67872963
N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
CID 90483616
1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide
CID 90679730
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 38105345
(3S)-1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100777593
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 131709262
(3R)-1-[[4-(dimethylamino)phenyl]methyl]piperidine-3-carboxamide
CID 26458213

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide (CID 10257104) is N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide is CCCCCCN(C)C(=O)C1CCCN(Cc2ccc(CN3CCCC(C(=O)N(C)CCCCCC)C3)cc2)C1.
What is the InChIKey of N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is VASSRGYVSNRJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58N4O2/c1-5-7-9-11-21-35(3)33(39)31-15-13-23-37(27-31)25-29-17-19-30(20-18-29)26-38-24-14-16-32(28-38)34(40)36(4)22-12-10-8-6-2/h17-20,31-32H,5-16,21-28H2,1-4H3.
What are the key properties of N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide?
N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 554.86 g/mol, XLogP of 6.19, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 10257104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).