N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide

C22H30N4O2 — CID 42515813

IUPACN-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H30N4O2/c1-28-20-10-6-5-9-19(20)22(27)24-21-11-14-23-26(21)18-12-15-25(16-13-18)17-7-3-2-4-8-17/h5-6,9-11,14,17-18H,2-4,7-8,12-13,15-16H2,1H3,(H,24,27)
InChIKeyGIIBKZNBSFLXLG-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.11
Rot. Bonds5

About N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide

N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 42515813) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
PubChem CID42515813
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H30N4O2/c1-28-20-10-6-5-9-19(20)22(27)24-21-11-14-23-26(21)18-12-15-25(16-13-18)17-7-3-2-4-8-17/h5-6,9-11,14,17-18H,2-4,7-8,12-13,15-16H2,1H3,(H,24,27)
InChIKeyGIIBKZNBSFLXLG-UHFFFAOYSA-N
XLogP4.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-Methoxy-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide
CID 9591626
N-benzyl-1-(2-methoxybenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 2983598
N-[1-[1-(3-Furanylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl]-2-methoxybenzamide
CID 24790587
3-[2-(2-methoxyphenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305655
3-[trans-2-(2-methoxyphenyl)vinyl]-5-(2-methoxy-(1S)-methyl-ethoxy)-N-(1-methyl-1H-pyrazol-3-yl)-benzamide
CID 71540614
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560472
4-methoxy-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]benzamide
CID 156010447
N-(1-benzyl-1H-pyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 6461757
N-{1-[1-(2-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790124
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790322
2-methoxy-N-{1-[1-(4-methylbenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-phenylacetamide
CID 24790333
2-methoxy-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24790583

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide (CID 42515813) is N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is GIIBKZNBSFLXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-28-20-10-6-5-9-19(20)22(27)24-21-11-14-23-26(21)18-12-15-25(16-13-18)17-7-3-2-4-8-17/h5-6,9-11,14,17-18H,2-4,7-8,12-13,15-16H2,1H3,(H,24,27).
What are the key properties of N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide?
N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 382.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 42515813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).