N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide

C19H30ClN3O2 — CID 13216250

IUPACN-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide
SMILESCCCCCCN1CCC(C(=O)Nc2cc(Cl)c(N)cc2OC)CC1
InChIInChI=1S/C19H30ClN3O2/c1-3-4-5-6-9-23-10-7-14(8-11-23)19(24)22-17-12-15(20)16(21)13-18(17)25-2/h12-14H,3-11,21H2,1-2H3,(H,22,24)
InChIKeyZUFJRBUKCGTIHL-UHFFFAOYSA-N
MW367.92 g/mol
LogP4.16
Rot. Bonds8

About N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide

N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide (PubChem CID 13216250) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide
PubChem CID13216250
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide
SMILESCCCCCCN1CCC(C(=O)Nc2cc(Cl)c(N)cc2OC)CC1
InChIInChI=1S/C19H30ClN3O2/c1-3-4-5-6-9-23-10-7-14(8-11-23)19(24)22-17-12-15(20)16(21)13-18(17)25-2/h12-14H,3-11,21H2,1-2H3,(H,22,24)
InChIKeyZUFJRBUKCGTIHL-UHFFFAOYSA-N
XLogP4.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 13216276
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-hexylpiperidin-4-yl)propan-1-one
CID 19081962
1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide
CID 19081936
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-pentylpiperidin-4-yl)propan-1-one;hydrochloride
CID 19081841
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidine-4-carboxylic acid
CID 11696133
4-amino-5-chloro-N-[[1-[6-(diethylamino)hexyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 54117469
1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one
CID 67741085
N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007400
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45012607
N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921495
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide?
The IUPAC name of N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide (CID 13216250) is N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide is CCCCCCN1CCC(C(=O)Nc2cc(Cl)c(N)cc2OC)CC1.
What is the InChIKey of N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide?
The InChIKey is ZUFJRBUKCGTIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O2/c1-3-4-5-6-9-23-10-7-14(8-11-23)19(24)22-17-12-15(20)16(21)13-18(17)25-2/h12-14H,3-11,21H2,1-2H3,(H,22,24).
What are the key properties of N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide?
N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide has a molecular weight of 367.92 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide is sourced from PubChem (CID 13216250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).