1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine

C24H37N5 — CID 42521827

IUPAC1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCCn1cc(CN(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)cn1
InChIInChI=1S/C24H37N5/c1-2-29-20-23(15-26-29)18-27(16-21-8-6-12-25-14-21)17-22-9-7-13-28(19-22)24-10-4-3-5-11-24/h6,8,12,14-15,20,22,24H,2-5,7,9-11,13,16-19H2,1H3/t22-/m1/s1
InChIKeyYXSPXTYIPQIFOR-JOCHJYFZSA-N
MW395.60 g/mol
LogP4.34
Rot. Bonds8

About 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine

1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 42521827) has the molecular formula C24H37N5 and a molecular weight of 395.60 g/mol. Its IUPAC name is 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID42521827
Molecular FormulaC24H37N5
Molecular Weight395.60 g/mol
Exact Mass395.30
IUPAC Name1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCCn1cc(CN(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)cn1
InChIInChI=1S/C24H37N5/c1-2-29-20-23(15-26-29)18-27(16-21-8-6-12-25-14-21)17-22-9-7-13-28(19-22)24-10-4-3-5-11-24/h6,8,12,14-15,20,22,24H,2-5,7,9-11,13,16-19H2,1H3/t22-/m1/s1
InChIKeyYXSPXTYIPQIFOR-JOCHJYFZSA-N
XLogP4.34
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.60
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine with MolForge

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Related Compounds

1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45232683
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 42198636
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 25274473
1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45197766
1-[(3S)-1-cyclohexylpiperidin-3-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42519066
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 97271472
1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45185942
2-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-6-ethoxyphenol
CID 42291480
1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45177609
1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 167070521
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97281081
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42515288

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine (CID 42521827) is 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine is CCn1cc(CN(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)cn1.
What is the InChIKey of 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is YXSPXTYIPQIFOR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H37N5/c1-2-29-20-23(15-26-29)18-27(16-21-8-6-12-25-14-21)17-22-9-7-13-28(19-22)24-10-4-3-5-11-24/h6,8,12,14-15,20,22,24H,2-5,7,9-11,13,16-19H2,1H3/t22-/m1/s1.
What are the key properties of 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 395.60 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 42521827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).