N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide

C23H29N3O3S — CID 18279657

IUPACN-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide
SMILESCOc1cc(CCC2CCN(CCC(=O)Nc3sccc3C#N)CC2)cc(OC)c1
InChIInChI=1S/C23H29N3O3S/c1-28-20-13-18(14-21(15-20)29-2)4-3-17-5-9-26(10-6-17)11-7-22(27)25-23-19(16-24)8-12-30-23/h8,12-15,17H,3-7,9-11H2,1-2H3,(H,25,27)
InChIKeyOTLPFHDHHWVMNY-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.31
Rot. Bonds9

About N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide

N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide (PubChem CID 18279657) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide
PubChem CID18279657
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide
SMILESCOc1cc(CCC2CCN(CCC(=O)Nc3sccc3C#N)CC2)cc(OC)c1
InChIInChI=1S/C23H29N3O3S/c1-28-20-13-18(14-21(15-20)29-2)4-3-17-5-9-26(10-6-17)11-7-22(27)25-23-19(16-24)8-12-30-23/h8,12-15,17H,3-7,9-11H2,1-2H3,(H,25,27)
InChIKeyOTLPFHDHHWVMNY-UHFFFAOYSA-N
XLogP4.31
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide with MolForge

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide
CID 115300684
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CID 8904188
3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 79867752
3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 43001145
N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61205508
3-(4-acetyl-1,4-diazepan-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 34927459
N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
CID 95602435
N-(3-cyanothiophen-2-yl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340948
methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742622
2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(4-hydroxyphenyl)acetamide
CID 18137192
N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 32697229
N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide (CID 18279657) is N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide is COc1cc(CCC2CCN(CCC(=O)Nc3sccc3C#N)CC2)cc(OC)c1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide?
The InChIKey is OTLPFHDHHWVMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-28-20-13-18(14-21(15-20)29-2)4-3-17-5-9-26(10-6-17)11-7-22(27)25-23-19(16-24)8-12-30-23/h8,12-15,17H,3-7,9-11H2,1-2H3,(H,25,27).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide?
N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide has a molecular weight of 427.57 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 18279657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).