N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

C18H28ClN3O3 — CID 120645221

IUPACN-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CCNCC1
InChIInChI=1S/C18H28ClN3O3/c1-22(2)10-11-25-16-5-4-14(12-15(16)19)21-17(23)18(13-24-3)6-8-20-9-7-18/h4-5,12,20H,6-11,13H2,1-3H3,(H,21,23)
InChIKeyFJSKHGFNRPEWBW-UHFFFAOYSA-N
MW369.89 g/mol
LogP2.24
Rot. Bonds8

About N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120645221) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120645221
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC NameN-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CCNCC1
InChIInChI=1S/C18H28ClN3O3/c1-22(2)10-11-25-16-5-4-14(12-15(16)19)21-17(23)18(13-24-3)6-8-20-9-7-18/h4-5,12,20H,6-11,13H2,1-3H3,(H,21,23)
InChIKeyFJSKHGFNRPEWBW-UHFFFAOYSA-N
XLogP2.24
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127333
N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618116
N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624242
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methylcyclopentane-1-carboxamide
CID 95161970
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647194
(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide
CID 122081630
N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 126801145
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
CID 86964008
N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120635085
N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 119862046
N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624220

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120645221) is N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CCNCC1.
What is the InChIKey of N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is FJSKHGFNRPEWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O3/c1-22(2)10-11-25-16-5-4-14(12-15(16)19)21-17(23)18(13-24-3)6-8-20-9-7-18/h4-5,12,20H,6-11,13H2,1-3H3,(H,21,23).
What are the key properties of N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 369.89 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120645221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).