N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide

C22H30N4O2 — CID 119063879

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCC1(OCc2ccccc2)CCN(C(=O)NCc2cn(C)nc2C)CC1
InChIInChI=1S/C22H30N4O2/c1-4-10-22(28-17-19-8-6-5-7-9-19)11-13-26(14-12-22)21(27)23-15-20-16-25(3)24-18(20)2/h4-9,16H,1,10-15,17H2,2-3H3,(H,23,27)
InChIKeyXLJOQYTXZMFVRX-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.57
Rot. Bonds7

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide (PubChem CID 119063879) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide
PubChem CID119063879
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCC1(OCc2ccccc2)CCN(C(=O)NCc2cn(C)nc2C)CC1
InChIInChI=1S/C22H30N4O2/c1-4-10-22(28-17-19-8-6-5-7-9-19)11-13-26(14-12-22)21(27)23-15-20-16-25(3)24-18(20)2/h4-9,16H,1,10-15,17H2,2-3H3,(H,23,27)
InChIKeyXLJOQYTXZMFVRX-UHFFFAOYSA-N
XLogP3.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25061063
1'-Benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060565
N-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155519785
N-[2-[3-(3-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155537385
N-[2-[3-(4-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155566254
3-[(2-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018267
3-{[(3-Fluorophenyl)methoxy]methyl}-1-methyl-N-(propan-2-YL)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018329
N-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018334
2-({6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}thio)-N-(2-methylphenyl)acetamide
CID 53018349
3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018382
1-[(1-Methylpyrazol-4-yl)methyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea
CID 53578762
1-[2-(Dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea
CID 72010246

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide (CID 119063879) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide is C=CCC1(OCc2ccccc2)CCN(C(=O)NCc2cn(C)nc2C)CC1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide?
The InChIKey is XLJOQYTXZMFVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-4-10-22(28-17-19-8-6-5-7-9-19)11-13-26(14-12-22)21(27)23-15-20-16-25(3)24-18(20)2/h4-9,16H,1,10-15,17H2,2-3H3,(H,23,27).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylmethoxy-4-prop-2-enylpiperidine-1-carboxamide is sourced from PubChem (CID 119063879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).