N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C21H30N4O — CID 77086601

IUPACN-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NCCN2CCCC(c3ccccc3)C2)c(C)c1C
InChIInChI=1S/C21H30N4O/c1-16-17(2)23-25(18(16)3)15-21(26)22-11-13-24-12-7-10-20(14-24)19-8-5-4-6-9-19/h4-6,8-9,20H,7,10-15H2,1-3H3,(H,22,26)
InChIKeyNHYIXAAIKKUWHK-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.80
Rot. Bonds6

About N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 77086601) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID77086601
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NCCN2CCCC(c3ccccc3)C2)c(C)c1C
InChIInChI=1S/C21H30N4O/c1-16-17(2)23-25(18(16)3)15-21(26)22-11-13-24-12-7-10-20(14-24)19-8-5-4-6-9-19/h4-6,8-9,20H,7,10-15H2,1-3H3,(H,22,26)
InChIKeyNHYIXAAIKKUWHK-UHFFFAOYSA-N
XLogP2.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
CID 95230194
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide
CID 91834161
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 110226445
2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 131915442
1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea
CID 126442624
2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 97208277
4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 99946457
4-(2-hydroxyethyl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
CID 121495919
N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide
CID 95193540
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45252270
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 77086601) is N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)NCCN2CCCC(c3ccccc3)C2)c(C)c1C.
What is the InChIKey of N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is NHYIXAAIKKUWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-16-17(2)23-25(18(16)3)15-21(26)22-11-13-24-12-7-10-20(14-24)19-8-5-4-6-9-19/h4-6,8-9,20H,7,10-15H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 354.50 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 77086601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).