3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

C24H34N4OS — CID 29107091

IUPAC3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(Cc1ccncc1)CC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C24H34N4OS/c1-19-9-16-30-23(19)24(29)28(17-20-3-10-25-11-4-20)18-21-5-14-27(15-6-21)22-7-12-26(2)13-8-22/h3-4,9-11,16,21-22H,5-8,12-15,17-18H2,1-2H3
InChIKeyYVNPOHSIZLOWOB-UHFFFAOYSA-N
MW426.63 g/mol
LogP3.90
Rot. Bonds6

About 3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 29107091) has the molecular formula C24H34N4OS and a molecular weight of 426.63 g/mol. Its IUPAC name is 3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID29107091
Molecular FormulaC24H34N4OS
Molecular Weight426.63 g/mol
Exact Mass426.25
IUPAC Name3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(Cc1ccncc1)CC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C24H34N4OS/c1-19-9-16-30-23(19)24(29)28(17-20-3-10-25-11-4-20)18-21-5-14-27(15-6-21)22-7-12-26(2)13-8-22/h3-4,9-11,16,21-22H,5-8,12-15,17-18H2,1-2H3
InChIKeyYVNPOHSIZLOWOB-UHFFFAOYSA-N
XLogP3.90
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (CID 29107091) is 3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)N(Cc1ccncc1)CC1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of 3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is YVNPOHSIZLOWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4OS/c1-19-9-16-30-23(19)24(29)28(17-20-3-10-25-11-4-20)18-21-5-14-27(15-6-21)22-7-12-26(2)13-8-22/h3-4,9-11,16,21-22H,5-8,12-15,17-18H2,1-2H3.
What are the key properties of 3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 426.63 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 29107091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).