N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide

C19H26ClN3O3 — CID 22683562

IUPACN-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide
SMILESCOc1cc(CCNC(=O)CC#N)cc(Cl)c1OCCN1CCCCC1
InChIInChI=1S/C19H26ClN3O3/c1-25-17-14-15(6-8-22-18(24)5-7-21)13-16(20)19(17)26-12-11-23-9-3-2-4-10-23/h13-14H,2-6,8-12H2,1H3,(H,22,24)
InChIKeyMUPNTZPQEDFJHD-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.79
Rot. Bonds9

About N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide

N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide (PubChem CID 22683562) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide
PubChem CID22683562
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC NameN-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide
SMILESCOc1cc(CCNC(=O)CC#N)cc(Cl)c1OCCN1CCCCC1
InChIInChI=1S/C19H26ClN3O3/c1-25-17-14-15(6-8-22-18(24)5-7-21)13-16(20)19(17)26-12-11-23-9-3-2-4-10-23/h13-14H,2-6,8-12H2,1H3,(H,22,24)
InChIKeyMUPNTZPQEDFJHD-UHFFFAOYSA-N
XLogP2.79
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-chloro-5-ethoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide
CID 20990077
N-[2-[3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide
CID 20985725
2-cyano-N-[[3-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]acetamide
CID 22685929
3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)benzenecarbothioamide
CID 22687308
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20986144
2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide
CID 22686514
3-chloro-4-[2-(2-cyanoethylamino)-2-oxoethoxy]-5-methoxybenzoic acid
CID 28898071
N-[2-[2-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686054
1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217074
2-cyano-N-[2-[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20987479
N-[[3-chloro-5-ethoxy-4-(2-phenylethoxy)phenyl]methyl]-2-cyanoacetamide
CID 20990441
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide?
The IUPAC name of N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide (CID 22683562) is N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide.
What is the SMILES notation for N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide?
The canonical SMILES for N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide is COc1cc(CCNC(=O)CC#N)cc(Cl)c1OCCN1CCCCC1.
What is the InChIKey of N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide?
The InChIKey is MUPNTZPQEDFJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-25-17-14-15(6-8-22-18(24)5-7-21)13-16(20)19(17)26-12-11-23-9-3-2-4-10-23/h13-14H,2-6,8-12H2,1H3,(H,22,24).
What are the key properties of N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide?
N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide has a molecular weight of 379.89 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide is sourced from PubChem (CID 22683562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).