(2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C17H20N4O2S — CID 124626241

IUPAC(2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCc1nccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)n1
InChIInChI=1S/C17H20N4O2S/c1-12-18-8-7-13(20-12)11-19-16(22)14-5-2-3-9-21(14)17(23)15-6-4-10-24-15/h4,6-8,10,14H,2-3,5,9,11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyPPTXPPLFENNCAS-AWEZNQCLSA-N
MW344.44 g/mol
LogP2.16
Rot. Bonds4

About (2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

(2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 124626241) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID124626241
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCc1nccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)n1
InChIInChI=1S/C17H20N4O2S/c1-12-18-8-7-13(20-12)11-19-16(22)14-5-2-3-9-21(14)17(23)15-6-4-10-24-15/h4,6-8,10,14H,2-3,5,9,11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyPPTXPPLFENNCAS-AWEZNQCLSA-N
XLogP2.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
(2S)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47066876
N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86920742
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876209
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 47328498
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
N-[(2-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406464
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
(2R)-N-[[(2R)-thiolan-2-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 124573724
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78875900

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 124626241) is (2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is Cc1nccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)n1.
What is the InChIKey of (2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is PPTXPPLFENNCAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-18-8-7-13(20-12)11-19-16(22)14-5-2-3-9-21(14)17(23)15-6-4-10-24-15/h4,6-8,10,14H,2-3,5,9,11H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
(2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 124626241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).