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

C24H27N3O2S — CID 110228619

IUPACN-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
SMILESCOc1cccc(CN2CCC(C(NC(=O)c3cccs3)c3ccccn3)CC2)c1
InChIInChI=1S/C24H27N3O2S/c1-29-20-7-4-6-18(16-20)17-27-13-10-19(11-14-27)23(21-8-2-3-12-25-21)26-24(28)22-9-5-15-30-22/h2-9,12,15-16,19,23H,10-11,13-14,17H2,1H3,(H,26,28)
InChIKeyAKRUZPOZNCMKMX-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.53
Rot. Bonds7

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

N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide (PubChem CID 110228619) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
PubChem CID110228619
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
SMILESCOc1cccc(CN2CCC(C(NC(=O)c3cccs3)c3ccccn3)CC2)c1
InChIInChI=1S/C24H27N3O2S/c1-29-20-7-4-6-18(16-20)17-27-13-10-19(11-14-27)23(21-8-2-3-12-25-21)26-24(28)22-9-5-15-30-22/h2-9,12,15-16,19,23H,10-11,13-14,17H2,1H3,(H,26,28)
InChIKeyAKRUZPOZNCMKMX-UHFFFAOYSA-N
XLogP4.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 92601741
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014
3-fluoro-N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 110228651
N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 110228739
N-[(S)-[(3S)-1-(4-methoxyphenyl)piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 93242561
N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 92577202
N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550248
N-[(S)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 95795408
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572
2-phenyl-N-[pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 110228582
2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 92574491
2-cyclopentyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228643

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide (CID 110228619) is N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide is COc1cccc(CN2CCC(C(NC(=O)c3cccs3)c3ccccn3)CC2)c1.
What is the InChIKey of N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide?
The InChIKey is AKRUZPOZNCMKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-29-20-7-4-6-18(16-20)17-27-13-10-19(11-14-27)23(21-8-2-3-12-25-21)26-24(28)22-9-5-15-30-22/h2-9,12,15-16,19,23H,10-11,13-14,17H2,1H3,(H,26,28).
What are the key properties of N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide?
N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide is sourced from PubChem (CID 110228619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).