1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide

C18H24N4O2 — CID 171995331

IUPAC1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(CCOc3ccccc3)C2)cn1
InChIInChI=1S/C18H24N4O2/c1-21-13-15(12-19-21)18(23)20-16-6-5-9-22(14-16)10-11-24-17-7-3-2-4-8-17/h2-4,7-8,12-13,16H,5-6,9-11,14H2,1H3,(H,20,23)
InChIKeySWRKUZQZEBCXTC-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.69
Rot. Bonds6

About 1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide

1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 171995331) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide
PubChem CID171995331
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(CCOc3ccccc3)C2)cn1
InChIInChI=1S/C18H24N4O2/c1-21-13-15(12-19-21)18(23)20-16-6-5-9-22(14-16)10-11-24-17-7-3-2-4-8-17/h2-4,7-8,12-13,16H,5-6,9-11,14H2,1H3,(H,20,23)
InChIKeySWRKUZQZEBCXTC-UHFFFAOYSA-N
XLogP1.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide
CID 171994150
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993172
N-[1-[2-(azepan-1-yl)-2-oxoethyl]piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993873
N-[1-[(3-cyanophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933813
1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 47079917
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933795
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171994214
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993320

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide (CID 171995331) is 1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCCN(CCOc3ccccc3)C2)cn1.
What is the InChIKey of 1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is SWRKUZQZEBCXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-13-15(12-19-21)18(23)20-16-6-5-9-22(14-16)10-11-24-17-7-3-2-4-8-17/h2-4,7-8,12-13,16H,5-6,9-11,14H2,1H3,(H,20,23).
What are the key properties of 1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide?
1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.69, 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-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 171995331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).