N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C21H28N4O3S2 — CID 55857840

IUPACN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C21H28N4O3S2/c26-21(17-5-3-11-25(15-17)30(27,28)20-7-4-14-29-20)23-18-8-12-24(13-9-18)16-19-6-1-2-10-22-19/h1-2,4,6-7,10,14,17-18H,3,5,8-9,11-13,15-16H2,(H,23,26)
InChIKeyQRNBBCNGGZWYNK-UHFFFAOYSA-N
MW448.61 g/mol
LogP2.32
Rot. Bonds6

About N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 55857840) has the molecular formula C21H28N4O3S2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID55857840
Molecular FormulaC21H28N4O3S2
Molecular Weight448.61 g/mol
Exact Mass448.16
IUPAC NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C21H28N4O3S2/c26-21(17-5-3-11-25(15-17)30(27,28)20-7-4-14-29-20)23-18-8-12-24(13-9-18)16-19-6-1-2-10-22-19/h1-2,4,6-7,10,14,17-18H,3,5,8-9,11-13,15-16H2,(H,23,26)
InChIKeyQRNBBCNGGZWYNK-UHFFFAOYSA-N
XLogP2.32
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 55859239
N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24633039
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2161690
2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97277241
N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide
CID 46628290
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 55857840) is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(NC1CCN(Cc2ccccn2)CC1)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is QRNBBCNGGZWYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S2/c26-21(17-5-3-11-25(15-17)30(27,28)20-7-4-14-29-20)23-18-8-12-24(13-9-18)16-19-6-1-2-10-22-19/h1-2,4,6-7,10,14,17-18H,3,5,8-9,11-13,15-16H2,(H,23,26).
What are the key properties of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 448.61 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55857840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).