N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide

C18H24N4O2 — CID 111661814

IUPACN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cn1
InChIInChI=1S/C18H24N4O2/c1-21-12-16(11-20-21)18(24)19-10-14-4-2-3-5-15(14)13-22-8-6-17(23)7-9-22/h2-5,11-12,17,23H,6-10,13H2,1H3,(H,19,24)
InChIKeyXWVGPOWLQAAYNM-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.31
Rot. Bonds5

About N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 111661814) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID111661814
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cn1
InChIInChI=1S/C18H24N4O2/c1-21-12-16(11-20-21)18(24)19-10-14-4-2-3-5-15(14)13-22-8-6-17(23)7-9-22/h2-5,11-12,17,23H,6-10,13H2,1H3,(H,19,24)
InChIKeyXWVGPOWLQAAYNM-UHFFFAOYSA-N
XLogP1.31
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 111520282
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
CID 111520307
3-fluoro-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 111520313
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119947378
N-[2-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 154839761
2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665
1-butan-2-yl-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylurea
CID 111796216
1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
CID 51321501
2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 91660317
1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 138037540
N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 167858795

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide (CID 111661814) is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cn1.
What is the InChIKey of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is XWVGPOWLQAAYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-12-16(11-20-21)18(24)19-10-14-4-2-3-5-15(14)13-22-8-6-17(23)7-9-22/h2-5,11-12,17,23H,6-10,13H2,1H3,(H,19,24).
What are the key properties of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 111661814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).