N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide

C19H24N4O2S — CID 124852169

IUPACN-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide
SMILESCSc1ccccc1C(=O)[C@H]1CCCN(CC(=O)Nc2ccn(C)n2)C1
InChIInChI=1S/C19H24N4O2S/c1-22-11-9-17(21-22)20-18(24)13-23-10-5-6-14(12-23)19(25)15-7-3-4-8-16(15)26-2/h3-4,7-9,11,14H,5-6,10,12-13H2,1-2H3,(H,20,21,24)/t14-/m0/s1
InChIKeyUIHCXGAHTLAKSQ-AWEZNQCLSA-N
MW372.49 g/mol
LogP2.68
Rot. Bonds6

About N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide

N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide (PubChem CID 124852169) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide
PubChem CID124852169
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide
SMILESCSc1ccccc1C(=O)[C@H]1CCCN(CC(=O)Nc2ccn(C)n2)C1
InChIInChI=1S/C19H24N4O2S/c1-22-11-9-17(21-22)20-18(24)13-23-10-5-6-14(12-23)19(25)15-7-3-4-8-16(15)26-2/h3-4,7-9,11,14H,5-6,10,12-13H2,1-2H3,(H,20,21,24)/t14-/m0/s1
InChIKeyUIHCXGAHTLAKSQ-AWEZNQCLSA-N
XLogP2.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 25449567
2-(4-aminopiperidin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 79327473
[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 45188405
2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124756401
(3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 25291677
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 45226774
N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124752097
[(3R)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 42122412
N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 45183967
(3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 42363244
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815
2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 62660823

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide (CID 124852169) is N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide is CSc1ccccc1C(=O)[C@H]1CCCN(CC(=O)Nc2ccn(C)n2)C1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide?
The InChIKey is UIHCXGAHTLAKSQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-22-11-9-17(21-22)20-18(24)13-23-10-5-6-14(12-23)19(25)15-7-3-4-8-16(15)26-2/h3-4,7-9,11,14H,5-6,10,12-13H2,1-2H3,(H,20,21,24)/t14-/m0/s1.
What are the key properties of N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide?
N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide has a molecular weight of 372.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 124852169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).