N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide

C21H30N4O2 — CID 121496789

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C1CCN(C(=O)NCc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C21H30N4O2/c1-21(2,3)19-13-16(23-24-19)14-22-20(26)25-11-9-15(10-12-25)17-7-5-6-8-18(17)27-4/h5-8,13,15H,9-12,14H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyQQDBPEOHBGACIT-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.81
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 121496789) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID121496789
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C1CCN(C(=O)NCc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C21H30N4O2/c1-21(2,3)19-13-16(23-24-19)14-22-20(26)25-11-9-15(10-12-25)17-7-5-6-8-18(17)27-4/h5-8,13,15H,9-12,14H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyQQDBPEOHBGACIT-UHFFFAOYSA-N
XLogP3.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
CID 131891318
N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 23763777
(3S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide
CID 126435597
N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 3746837
N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 122559467
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 5161698
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 126441610
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 91761714
2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid
CID 166237312
(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 110015914
(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126429422

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide (CID 121496789) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide is COc1ccccc1C1CCN(C(=O)NCc2cc(C(C)(C)C)n[nH]2)CC1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is QQDBPEOHBGACIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-21(2,3)19-13-16(23-24-19)14-22-20(26)25-11-9-15(10-12-25)17-7-5-6-8-18(17)27-4/h5-8,13,15H,9-12,14H2,1-4H3,(H,22,26)(H,23,24).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 121496789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).