N-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide

C17H20N4O2S — CID 47849739

IUPACN-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
SMILESCc1cccnc1NC(=O)N1CCC(NC(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N4O2S/c1-12-4-2-8-18-15(12)20-17(23)21-9-6-13(7-10-21)19-16(22)14-5-3-11-24-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,19,22)(H,18,20,23)
InChIKeyHNMOLIUPCRONRP-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.88
Rot. Bonds3

About N-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide

N-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide (PubChem CID 47849739) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
PubChem CID47849739
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
SMILESCc1cccnc1NC(=O)N1CCC(NC(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N4O2S/c1-12-4-2-8-18-15(12)20-17(23)21-9-6-13(7-10-21)19-16(22)14-5-3-11-24-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,19,22)(H,18,20,23)
InChIKeyHNMOLIUPCRONRP-UHFFFAOYSA-N
XLogP2.88
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110821257
N-(3-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 3411498
[1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid
CID 156534176
N-(cyclopentylmethyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47071744
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822238
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46454753
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822079
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 108555881
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide (CID 47849739) is N-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide is Cc1cccnc1NC(=O)N1CCC(NC(=O)c2cccs2)CC1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide?
The InChIKey is HNMOLIUPCRONRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-4-2-8-18-15(12)20-17(23)21-9-6-13(7-10-21)19-16(22)14-5-3-11-24-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,19,22)(H,18,20,23).
What are the key properties of N-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide?
N-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 47849739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).