N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

C19H26N4O — CID 94115482

IUPACN-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESC[C@@H]1CCCN(CCNC(=O)Cc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C19H26N4O/c1-16-6-5-10-22(14-16)11-9-20-19(24)12-17-13-21-23(15-17)18-7-3-2-4-8-18/h2-4,7-8,13,15-16H,5-6,9-12,14H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyRGXXWBXMIVQERE-MRXNPFEDSA-N
MW326.44 g/mol
LogP2.26
Rot. Bonds6

About N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 94115482) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID94115482
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESC[C@@H]1CCCN(CCNC(=O)Cc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C19H26N4O/c1-16-6-5-10-22(14-16)11-9-20-19(24)12-17-13-21-23(15-17)18-7-3-2-4-8-18/h2-4,7-8,13,15-16H,5-6,9-12,14H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyRGXXWBXMIVQERE-MRXNPFEDSA-N
XLogP2.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 110884110
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 86974365
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167968162
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
2-[2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242498

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 94115482) is N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is C[C@@H]1CCCN(CCNC(=O)Cc2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is RGXXWBXMIVQERE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O/c1-16-6-5-10-22(14-16)11-9-20-19(24)12-17-13-21-23(15-17)18-7-3-2-4-8-18/h2-4,7-8,13,15-16H,5-6,9-12,14H2,1H3,(H,20,24)/t16-/m1/s1.
What are the key properties of N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 94115482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).