1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide

C22H26N4O2 — CID 47079917

IUPAC1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CCOc3cccc4ccccc34)CC2)cn1
InChIInChI=1S/C22H26N4O2/c1-25-16-18(15-23-25)22(27)24-19-9-11-26(12-10-19)13-14-28-21-8-4-6-17-5-2-3-7-20(17)21/h2-8,15-16,19H,9-14H2,1H3,(H,24,27)
InChIKeyJOQRZLWQUBPXHU-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.85
Rot. Bonds6

About 1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide

1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 47079917) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID47079917
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CCOc3cccc4ccccc34)CC2)cn1
InChIInChI=1S/C22H26N4O2/c1-25-16-18(15-23-25)22(27)24-19-9-11-26(12-10-19)13-14-28-21-8-4-6-17-5-2-3-7-20(17)21/h2-8,15-16,19H,9-14H2,1H3,(H,24,27)
InChIKeyJOQRZLWQUBPXHU-UHFFFAOYSA-N
XLogP2.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171995331
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
CID 33104635
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
1-(2-naphthalen-1-yloxyethyl)piperidin-4-one
CID 39368285
N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide
CID 10195487
1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 95719674
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824
1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine
CID 48568943
2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide
CID 17173537

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide (CID 47079917) is 1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCN(CCOc3cccc4ccccc34)CC2)cn1.
What is the InChIKey of 1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is JOQRZLWQUBPXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25-16-18(15-23-25)22(27)24-19-9-11-26(12-10-19)13-14-28-21-8-4-6-17-5-2-3-7-20(17)21/h2-8,15-16,19H,9-14H2,1H3,(H,24,27).
What are the key properties of 1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide?
1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 47079917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).