N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine

C24H37N5 — CID 42198636

IUPACN-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESc1cncc(CN(CCCn2cccn2)C[C@H]2CCCN(C3CCCCC3)C2)c1
InChIInChI=1S/C24H37N5/c1-2-10-24(11-3-1)28-15-5-9-23(21-28)20-27(19-22-8-4-12-25-18-22)14-7-17-29-16-6-13-26-29/h4,6,8,12-13,16,18,23-24H,1-3,5,7,9-11,14-15,17,19-21H2/t23-/m1/s1
InChIKeyHZLIOGWZDDUZIM-HSZRJFAPSA-N
MW395.60 g/mol
LogP4.22
Rot. Bonds9

About N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine

N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 42198636) has the molecular formula C24H37N5 and a molecular weight of 395.60 g/mol. Its IUPAC name is N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID42198636
Molecular FormulaC24H37N5
Molecular Weight395.60 g/mol
Exact Mass395.30
IUPAC NameN-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESc1cncc(CN(CCCn2cccn2)C[C@H]2CCCN(C3CCCCC3)C2)c1
InChIInChI=1S/C24H37N5/c1-2-10-24(11-3-1)28-15-5-9-23(21-28)20-27(19-22-8-4-12-25-18-22)14-7-17-29-16-6-13-26-29/h4,6,8,12-13,16,18,23-24H,1-3,5,7,9-11,14-15,17,19-21H2/t23-/m1/s1
InChIKeyHZLIOGWZDDUZIM-HSZRJFAPSA-N
XLogP4.22
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.60
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
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1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
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CID 45232683
1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45185942
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-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45177609
2-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-6-ethoxyphenol
CID 42291480
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
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N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide
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N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine (CID 42198636) is N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine is c1cncc(CN(CCCn2cccn2)C[C@H]2CCCN(C3CCCCC3)C2)c1.
What is the InChIKey of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is HZLIOGWZDDUZIM-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H37N5/c1-2-10-24(11-3-1)28-15-5-9-23(21-28)20-27(19-22-8-4-12-25-18-22)14-7-17-29-16-6-13-26-29/h4,6,8,12-13,16,18,23-24H,1-3,5,7,9-11,14-15,17,19-21H2/t23-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 395.60 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 42198636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).