1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide

C22H28N4O2 — CID 47043568

IUPAC1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(C(=O)Cc3ccc4c(c3)CCCC4)CC2)cn1
InChIInChI=1S/C22H28N4O2/c1-25-15-19(14-23-25)22(28)24-20-8-10-26(11-9-20)21(27)13-16-6-7-17-4-2-3-5-18(17)12-16/h6-7,12,14-15,20H,2-5,8-11,13H2,1H3,(H,24,28)
InChIKeyMILJMBVDOBAQDZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.26
Rot. Bonds4

About 1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide

1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 47043568) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID47043568
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(C(=O)Cc3ccc4c(c3)CCCC4)CC2)cn1
InChIInChI=1S/C22H28N4O2/c1-25-15-19(14-23-25)22(28)24-20-8-10-26(11-9-20)21(27)13-16-6-7-17-4-2-3-5-18(17)12-16/h6-7,12,14-15,20H,2-5,8-11,13H2,1H3,(H,24,28)
InChIKeyMILJMBVDOBAQDZ-UHFFFAOYSA-N
XLogP2.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47043586
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043589
N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]acetamide
CID 17421092
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
N-[1-(2-benzhydrylsulfanylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043552
N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813829
1-methyl-N-[1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 94809230
N-[1-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043575
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110806562
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 47043568) is 1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCN(C(=O)Cc3ccc4c(c3)CCCC4)CC2)cn1.
What is the InChIKey of 1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is MILJMBVDOBAQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-25-15-19(14-23-25)22(28)24-20-8-10-26(11-9-20)21(27)13-16-6-7-17-4-2-3-5-18(17)12-16/h6-7,12,14-15,20H,2-5,8-11,13H2,1H3,(H,24,28).
What are the key properties of 1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide?
1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 47043568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).