N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C18H27Cl2N3O3 — CID 119740335

IUPACN-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C18H26ClN3O3.ClH/c1-12(2)11-21-16(23)14-5-4-13(10-15(14)19)22-17(24)18(25-3)6-8-20-9-7-18;/h4-5,10,12,20H,6-9,11H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyGEZFAYMPXCUXBW-UHFFFAOYSA-N
MW404.34 g/mol
LogP2.85
Rot. Bonds6

About N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119740335) has the molecular formula C18H27Cl2N3O3 and a molecular weight of 404.34 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119740335
Molecular FormulaC18H27Cl2N3O3
Molecular Weight404.34 g/mol
Exact Mass403.14
IUPAC NameN-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C18H26ClN3O3.ClH/c1-12(2)11-21-16(23)14-5-4-13(10-15(14)19)22-17(24)18(25-3)6-8-20-9-7-18;/h4-5,10,12,20H,6-9,11H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyGEZFAYMPXCUXBW-UHFFFAOYSA-N
XLogP2.85
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708344
4-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119760392
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-methoxy-N-(2-methylpropyl)piperidine-4-carboxamide
CID 119673792
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-methoxypiperidine-4-carboxamide
CID 119703580
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119298613
N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119704635
N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119771638

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119740335) is N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)CCNCC1.Cl.
What is the InChIKey of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is GEZFAYMPXCUXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3.ClH/c1-12(2)11-21-16(23)14-5-4-13(10-15(14)19)22-17(24)18(25-3)6-8-20-9-7-18;/h4-5,10,12,20H,6-9,11H2,1-3H3,(H,21,23)(H,22,24);1H.
What are the key properties of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 404.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119740335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).