N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide

C16H22N4OS — CID 42404413

IUPACN-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCn1cc(CN2CCC[C@@H](CNC(=O)c3cccs3)C2)cn1
InChIInChI=1S/C16H22N4OS/c1-19-10-14(9-18-19)12-20-6-2-4-13(11-20)8-17-16(21)15-5-3-7-22-15/h3,5,7,9-10,13H,2,4,6,8,11-12H2,1H3,(H,17,21)/t13-/m0/s1
InChIKeyCKNYAHYCGCYREX-ZDUSSCGKSA-N
MW318.45 g/mol
LogP2.12
Rot. Bonds5

About N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide

N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 42404413) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID42404413
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCn1cc(CN2CCC[C@@H](CNC(=O)c3cccs3)C2)cn1
InChIInChI=1S/C16H22N4OS/c1-19-10-14(9-18-19)12-20-6-2-4-13(11-20)8-17-16(21)15-5-3-7-22-15/h3,5,7,9-10,13H,2,4,6,8,11-12H2,1H3,(H,17,21)/t13-/m0/s1
InChIKeyCKNYAHYCGCYREX-ZDUSSCGKSA-N
XLogP2.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 45228883
N-[(S)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 95795408
[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 86905499
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
N-[[(3R)-1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42355837
N-[[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42461029
N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42095101
2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95216925
N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 56760043
N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 42216008
1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 49214504
(3aR,8aR)-N-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-5-(thiophene-2-carbonyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxamide
CID 97403997

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide (CID 42404413) is N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide is Cn1cc(CN2CCC[C@@H](CNC(=O)c3cccs3)C2)cn1.
What is the InChIKey of N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is CKNYAHYCGCYREX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-19-10-14(9-18-19)12-20-6-2-4-13(11-20)8-17-16(21)15-5-3-7-22-15/h3,5,7,9-10,13H,2,4,6,8,11-12H2,1H3,(H,17,21)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 42404413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).