2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C20H27N5O — CID 167871087

IUPAC2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESNc1cn[nH]c1C1CCN(CC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C20H27N5O/c21-17-12-22-24-20(17)15-8-10-25(11-9-15)13-19(26)23-18-7-3-5-14-4-1-2-6-16(14)18/h1-2,4,6,12,15,18H,3,5,7-11,13,21H2,(H,22,24)(H,23,26)
InChIKeyZIMNZGKBFHPWTP-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.37
Rot. Bonds4

About 2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 167871087) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID167871087
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESNc1cn[nH]c1C1CCN(CC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C20H27N5O/c21-17-12-22-24-20(17)15-8-10-25(11-9-15)13-19(26)23-18-7-3-5-14-4-1-2-6-16(14)18/h1-2,4,6,12,15,18H,3,5,7-11,13,21H2,(H,22,24)(H,23,26)
InChIKeyZIMNZGKBFHPWTP-UHFFFAOYSA-N
XLogP2.37
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
2-(4-benzylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4268448
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025031
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55364748
2-(5-oxo-1,4-diazepan-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 164634917
2-(1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119905959
2-(4-benzyl-1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16618239
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30730233
2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 129426223
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40625039
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40872849
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9262225

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 167871087) is 2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is Nc1cn[nH]c1C1CCN(CC(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of 2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is ZIMNZGKBFHPWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c21-17-12-22-24-20(17)15-8-10-25(11-9-15)13-19(26)23-18-7-3-5-14-4-1-2-6-16(14)18/h1-2,4,6,12,15,18H,3,5,7-11,13,21H2,(H,22,24)(H,23,26).
What are the key properties of 2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 167871087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).