N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine

C22H34N4O — CID 42286681

IUPACN-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
SMILESCOc1ccc(CCN2CCC[C@H](CN(C)CCCn3cccn3)C2)cc1
InChIInChI=1S/C22H34N4O/c1-24(13-5-16-26-15-4-12-23-26)18-21-6-3-14-25(19-21)17-11-20-7-9-22(27-2)10-8-20/h4,7-10,12,15,21H,3,5-6,11,13-14,16-19H2,1-2H3/t21-/m1/s1
InChIKeyFQOPSSLIQZYGNW-OAQYLSRUSA-N
MW370.54 g/mol
LogP3.17
Rot. Bonds10

About N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine

N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine (PubChem CID 42286681) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
PubChem CID42286681
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC NameN-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
SMILESCOc1ccc(CCN2CCC[C@H](CN(C)CCCn3cccn3)C2)cc1
InChIInChI=1S/C22H34N4O/c1-24(13-5-16-26-15-4-12-23-26)18-21-6-3-14-25(19-21)17-11-20-7-9-22(27-2)10-8-20/h4,7-10,12,15,21H,3,5-6,11,13-14,16-19H2,1-2H3/t21-/m1/s1
InChIKeyFQOPSSLIQZYGNW-OAQYLSRUSA-N
XLogP3.17
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
CID 45238729
N-[(1-ethylimidazol-2-yl)methyl]-1-[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42517995
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine
CID 45168179
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]methanamine
CID 45218202
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 45245761
2-(4-methoxyphenyl)-N-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]acetamide
CID 25374197
2-(4-methoxyphenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]acetamide
CID 25374202
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 45248888
1-[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 42240373
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 45177698
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 25312003
3-(bromomethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 80679538

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine (CID 42286681) is N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine is COc1ccc(CCN2CCC[C@H](CN(C)CCCn3cccn3)C2)cc1.
What is the InChIKey of N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is FQOPSSLIQZYGNW-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H34N4O/c1-24(13-5-16-26-15-4-12-23-26)18-21-6-3-14-25(19-21)17-11-20-7-9-22(27-2)10-8-20/h4,7-10,12,15,21H,3,5-6,11,13-14,16-19H2,1-2H3/t21-/m1/s1.
What are the key properties of N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 370.54 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 42286681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).