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

C24H27N3O2S — CID 92601741

IUPACN-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CN1CCC([C@H](NC(=O)c2cccs2)c2ccccn2)CC1
InChIInChI=1S/C24H27N3O2S/c1-29-21-9-3-2-7-19(21)17-27-14-11-18(12-15-27)23(20-8-4-5-13-25-20)26-24(28)22-10-6-16-30-22/h2-10,13,16,18,23H,11-12,14-15,17H2,1H3,(H,26,28)/t23-/m0/s1
InChIKeyOZDLDOSNHMVPSK-QHCPKHFHSA-N
MW421.57 g/mol
LogP4.53
Rot. Bonds7

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

N-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide (PubChem CID 92601741) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
PubChem CID92601741
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CN1CCC([C@H](NC(=O)c2cccs2)c2ccccn2)CC1
InChIInChI=1S/C24H27N3O2S/c1-29-21-9-3-2-7-19(21)17-27-14-11-18(12-15-27)23(20-8-4-5-13-25-20)26-24(28)22-10-6-16-30-22/h2-10,13,16,18,23H,11-12,14-15,17H2,1H3,(H,26,28)/t23-/m0/s1
InChIKeyOZDLDOSNHMVPSK-QHCPKHFHSA-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-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 95857787
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561853
N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 110228619
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 110226611
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228754
N-[(S)-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 95795415
N-[(S)-[(3S)-1-(4-methoxyphenyl)piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 93242561
N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226609
N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95850865
N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551996
N-[(S)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopentanecarboxamide
CID 95795377
N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
CID 95795365

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide (CID 92601741) is N-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide is COc1ccccc1CN1CCC([C@H](NC(=O)c2cccs2)c2ccccn2)CC1.
What is the InChIKey of N-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide?
The InChIKey is OZDLDOSNHMVPSK-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-29-21-9-3-2-7-19(21)17-27-14-11-18(12-15-27)23(20-8-4-5-13-25-20)26-24(28)22-10-6-16-30-22/h2-10,13,16,18,23H,11-12,14-15,17H2,1H3,(H,26,28)/t23-/m0/s1.
What are the key properties of N-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide?
N-[(S)-[1-[(2-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-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide is sourced from PubChem (CID 92601741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).