N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride

C25H36Cl3N3O2S — CID 10053255

IUPACN-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride
SMILESCCN(CC)C(c1ccc(Cl)cc1)c1c(NC(=O)CN2CCCCC2)sc2c1CCOC2.Cl.Cl
InChIInChI=1S/C25H34ClN3O2S.2ClH/c1-3-29(4-2)24(18-8-10-19(26)11-9-18)23-20-12-15-31-17-21(20)32-25(23)27-22(30)16-28-13-6-5-7-14-28;;/h8-11,24H,3-7,12-17H2,1-2H3,(H,27,30);2*1H
InChIKeyMFPRVQSYOKVSGU-UHFFFAOYSA-N
MW549.01 g/mol
LogP6.17
Rot. Bonds8

About N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride

N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride (PubChem CID 10053255) has the molecular formula C25H36Cl3N3O2S and a molecular weight of 549.01 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride
PubChem CID10053255
Molecular FormulaC25H36Cl3N3O2S
Molecular Weight549.01 g/mol
Exact Mass547.16
IUPAC NameN-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride
SMILESCCN(CC)C(c1ccc(Cl)cc1)c1c(NC(=O)CN2CCCCC2)sc2c1CCOC2.Cl.Cl
InChIInChI=1S/C25H34ClN3O2S.2ClH/c1-3-29(4-2)24(18-8-10-19(26)11-9-18)23-20-12-15-31-17-21(20)32-25(23)27-22(30)16-28-13-6-5-7-14-28;;/h8-11,24H,3-7,12-17H2,1-2H3,(H,27,30);2*1H
InChIKeyMFPRVQSYOKVSGU-UHFFFAOYSA-N
XLogP6.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.01
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(furan-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide
CID 10474551
N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 10478088
2-(azepan-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 1079410
N-[3-[(R)-(4-chlorophenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 1281709
N-[3-[(4-chlorophenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 5019822
2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69446712
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
CID 22195796
6-tert-butyl-N-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4522890
methyl 2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 22197541
methyl 2-[[2-(azepan-1-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 17265547
ethyl 1-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-chlorophenyl)methyl]piperidine-4-carboxylate
CID 18833676
ethyl 6-benzyl-2-[(2-piperidin-1-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 10388594

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride?
The IUPAC name of N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride (CID 10053255) is N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride?
The canonical SMILES for N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride is CCN(CC)C(c1ccc(Cl)cc1)c1c(NC(=O)CN2CCCCC2)sc2c1CCOC2.Cl.Cl.
What is the InChIKey of N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride?
The InChIKey is MFPRVQSYOKVSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3O2S.2ClH/c1-3-29(4-2)24(18-8-10-19(26)11-9-18)23-20-12-15-31-17-21(20)32-25(23)27-22(30)16-28-13-6-5-7-14-28;;/h8-11,24H,3-7,12-17H2,1-2H3,(H,27,30);2*1H.
What are the key properties of N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride?
N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride has a molecular weight of 549.01 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)-(diethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide;dihydrochloride is sourced from PubChem (CID 10053255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).