N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide

C15H21ClN2O3 — CID 121091740

IUPACN-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCN(C(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C15H21ClN2O3/c1-20-10-11-5-7-18(8-6-11)15(19)17-13-9-12(16)3-4-14(13)21-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyYMDVSLSQECUOFI-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.24
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide (PubChem CID 121091740) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
PubChem CID121091740
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCN(C(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C15H21ClN2O3/c1-20-10-11-5-7-18(8-6-11)15(19)17-13-9-12(16)3-4-14(13)21-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyYMDVSLSQECUOFI-UHFFFAOYSA-N
XLogP3.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781145
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505566
4-(benzimidazol-1-ylmethyl)-N-(5-chloro-2-methoxyphenyl)piperidine-1-carboxamide;oxalic acid
CID 71780969
N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 17183829
(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 97435778
N-(5-chloro-2-methoxyphenyl)-4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 3850323
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide (CID 121091740) is N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide is COCC1CCN(C(=O)Nc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide?
The InChIKey is YMDVSLSQECUOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-20-10-11-5-7-18(8-6-11)15(19)17-13-9-12(16)3-4-14(13)21-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 121091740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).