N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide

C20H29ClN2O2 — CID 134094205

IUPACN-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESC=C(Cl)COc1ccc(CN2CCC(C(=O)NCCCC)CC2)cc1
InChIInChI=1S/C20H29ClN2O2/c1-3-4-11-22-20(24)18-9-12-23(13-10-18)14-17-5-7-19(8-6-17)25-15-16(2)21/h5-8,18H,2-4,9-15H2,1H3,(H,22,24)
InChIKeyIZCNINPAVZZEEZ-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.95
Rot. Bonds9

About N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide

N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 134094205) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID134094205
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC NameN-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESC=C(Cl)COc1ccc(CN2CCC(C(=O)NCCCC)CC2)cc1
InChIInChI=1S/C20H29ClN2O2/c1-3-4-11-22-20(24)18-9-12-23(13-10-18)14-17-5-7-19(8-6-17)25-15-16(2)21/h5-8,18H,2-4,9-15H2,1H3,(H,22,24)
InChIKeyIZCNINPAVZZEEZ-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
N-[2-(4-methylphenoxy)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021346
N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361887
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
N-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 46483004
N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide
CID 29214226
1-[(3,4-dichlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46773556
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975
1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 795830

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide (CID 134094205) is N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide is C=C(Cl)COc1ccc(CN2CCC(C(=O)NCCCC)CC2)cc1.
What is the InChIKey of N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is IZCNINPAVZZEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-3-4-11-22-20(24)18-9-12-23(13-10-18)14-17-5-7-19(8-6-17)25-15-16(2)21/h5-8,18H,2-4,9-15H2,1H3,(H,22,24).
What are the key properties of N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide?
N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 364.92 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 134094205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).