N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide

C22H30N4O3 — CID 24794008

IUPACN-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2cnn(C)c2C)CC1
InChIInChI=1S/C22H30N4O3/c1-15-17(13-23-25(15)2)14-26-10-8-19(9-11-26)29-21-12-16(4-7-20(21)28-3)22(27)24-18-5-6-18/h4,7,12-13,18-19H,5-6,8-11,14H2,1-3H3,(H,24,27)
InChIKeyJPPGWFGJOVWPJV-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.67
Rot. Bonds7

About N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide

N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide (PubChem CID 24794008) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide
PubChem CID24794008
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2cnn(C)c2C)CC1
InChIInChI=1S/C22H30N4O3/c1-15-17(13-23-25(15)2)14-26-10-8-19(9-11-26)29-21-12-16(4-7-20(21)28-3)22(27)24-18-5-6-18/h4,7,12-13,18-19H,5-6,8-11,14H2,1-3H3,(H,24,27)
InChIKeyJPPGWFGJOVWPJV-UHFFFAOYSA-N
XLogP2.67
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide?
The IUPAC name of N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide (CID 24794008) is N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide is COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2cnn(C)c2C)CC1.
What is the InChIKey of N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide?
The InChIKey is JPPGWFGJOVWPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15-17(13-23-25(15)2)14-26-10-8-19(9-11-26)29-21-12-16(4-7-20(21)28-3)22(27)24-18-5-6-18/h4,7,12-13,18-19H,5-6,8-11,14H2,1-3H3,(H,24,27).
What are the key properties of N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide?
N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide has a molecular weight of 398.51 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxybenzamide is sourced from PubChem (CID 24794008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).