N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide

C22H34N2O2 — CID 2805781

IUPACN-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(C(=O)c2c(C)c(C)c(C)c(C)c2C)CC1
InChIInChI=1S/C22H34N2O2/c1-7-8-11-23-22(26)24-12-9-19(10-13-24)21(25)20-17(5)15(3)14(2)16(4)18(20)6/h19H,7-13H2,1-6H3,(H,23,26)
InChIKeyZJIPEBDHKBFTAV-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.63
Rot. Bonds5

About N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide

N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide (PubChem CID 2805781) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide
PubChem CID2805781
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(C(=O)c2c(C)c(C)c(C)c(C)c2C)CC1
InChIInChI=1S/C22H34N2O2/c1-7-8-11-23-22(26)24-12-9-19(10-13-24)21(25)20-17(5)15(3)14(2)16(4)18(20)6/h19H,7-13H2,1-6H3,(H,23,26)
InChIKeyZJIPEBDHKBFTAV-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
N-butylaziridine-1-carboxamide
CID 55206947
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
CID 63249024
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide
CID 165457542
N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
CID 144983646
1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62715725
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide (CID 2805781) is N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide is CCCCNC(=O)N1CCC(C(=O)c2c(C)c(C)c(C)c(C)c2C)CC1.
What is the InChIKey of N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide?
The InChIKey is ZJIPEBDHKBFTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-7-8-11-23-22(26)24-12-9-19(10-13-24)21(25)20-17(5)15(3)14(2)16(4)18(20)6/h19H,7-13H2,1-6H3,(H,23,26).
What are the key properties of N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide?
N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 2805781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).