N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide

C22H29N3OS — CID 3303776

IUPACN-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1C(c1cccnc1)N1CCC(C)CC1)CCCC2
InChIInChI=1S/C22H29N3OS/c1-15-9-12-25(13-10-15)21(17-6-5-11-23-14-17)20-18-7-3-4-8-19(18)27-22(20)24-16(2)26/h5-6,11,14-15,21H,3-4,7-10,12-13H2,1-2H3,(H,24,26)
InChIKeySTHUUBPFGZWLOV-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.80
Rot. Bonds4

About N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide

N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide (PubChem CID 3303776) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
PubChem CID3303776
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC NameN-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1C(c1cccnc1)N1CCC(C)CC1)CCCC2
InChIInChI=1S/C22H29N3OS/c1-15-9-12-25(13-10-15)21(17-6-5-11-23-14-17)20-18-7-3-4-8-19(18)27-22(20)24-16(2)26/h5-6,11,14-15,21H,3-4,7-10,12-13H2,1-2H3,(H,24,26)
InChIKeySTHUUBPFGZWLOV-UHFFFAOYSA-N
XLogP4.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide with MolForge

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Related Compounds

N-[3-[(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 18833775
N-[3-[(S)-(4-methylpiperidin-1-yl)-pyridin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 93479291
N-[3-[(4-methylpiperazine-1,4-diium-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 4102618
N-[3-[(3-fluorophenyl)-pyrrolidin-1-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 18833731
N-[3-[(3-fluorophenyl)-piperidin-1-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 18833732
N-[3-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 93479305
N-[3-[(R)-piperidin-1-yl(pyridin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 1187909
N-[5-methyl-3-[(R)-(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479213
N-[3-[(4-benzylpiperidin-1-yl)-(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 18833697
N-[3-[(2-chlorophenyl)-pyrrolidin-1-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 18833765
N-[3-[(R)-(3,4-dimethoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 93479298
N-[3-[(R)-(4-ethoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 93479296

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
The IUPAC name of N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide (CID 3303776) is N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide.
What is the SMILES notation for N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
The canonical SMILES for N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide is CC(=O)Nc1sc2c(c1C(c1cccnc1)N1CCC(C)CC1)CCCC2.
What is the InChIKey of N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
The InChIKey is STHUUBPFGZWLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-15-9-12-25(13-10-15)21(17-6-5-11-23-14-17)20-18-7-3-4-8-19(18)27-22(20)24-16(2)26/h5-6,11,14-15,21H,3-4,7-10,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide has a molecular weight of 383.56 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide is sourced from PubChem (CID 3303776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).