N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide

C19H27ClN2O4 — CID 113134401

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCOc1cc(N(CCC(=O)N2CCCC(C)C2)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C19H27ClN2O4/c1-13-6-5-8-21(12-13)19(24)7-9-22(14(2)23)16-11-17(25-3)15(20)10-18(16)26-4/h10-11,13H,5-9,12H2,1-4H3
InChIKeyAIOBTOFAEVWAGC-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.36
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113134401) has the molecular formula C19H27ClN2O4 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID113134401
Molecular FormulaC19H27ClN2O4
Molecular Weight382.89 g/mol
Exact Mass382.17
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCOc1cc(N(CCC(=O)N2CCCC(C)C2)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C19H27ClN2O4/c1-13-6-5-8-21(12-13)19(24)7-9-22(14(2)23)16-11-17(25-3)15(20)10-18(16)26-4/h10-11,13H,5-9,12H2,1-4H3
InChIKeyAIOBTOFAEVWAGC-UHFFFAOYSA-N
XLogP3.36
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134457
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113134403
N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113133995
N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127873
N-(2-fluorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113126709
N-[(2-methoxyphenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113119773
N-(2-methoxy-5-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113129537
N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113131128
N-[3-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113130996
N-(2-methoxy-5-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144969
N-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127019
(3R)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylpiperidine-1-carbothioamide
CID 939074

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 113134401) is N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide is COc1cc(N(CCC(=O)N2CCCC(C)C2)C(C)=O)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is AIOBTOFAEVWAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O4/c1-13-6-5-8-21(12-13)19(24)7-9-22(14(2)23)16-11-17(25-3)15(20)10-18(16)26-4/h10-11,13H,5-9,12H2,1-4H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 382.89 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113134401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).