1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine

C34H42N4 — CID 167070521

IUPAC1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCc1cccc(-n2cc(CN(Cc3cccnc3)CC3CCCN(C4CCCCC4)C3)c3ccccc32)c1
InChIInChI=1S/C34H42N4/c1-27-10-7-15-32(20-27)38-26-30(33-16-5-6-17-34(33)38)25-36(22-28-11-8-18-35-21-28)23-29-12-9-19-37(24-29)31-13-3-2-4-14-31/h5-8,10-11,15-18,20-21,26,29,31H,2-4,9,12-14,19,22-25H2,1H3
InChIKeyDPMJXUFXRHFOSJ-UHFFFAOYSA-N
MW506.74 g/mol
LogP7.38
Rot. Bonds8

About 1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine

1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 167070521) has the molecular formula C34H42N4 and a molecular weight of 506.74 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID167070521
Molecular FormulaC34H42N4
Molecular Weight506.74 g/mol
Exact Mass506.34
IUPAC Name1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCc1cccc(-n2cc(CN(Cc3cccnc3)CC3CCCN(C4CCCCC4)C3)c3ccccc32)c1
InChIInChI=1S/C34H42N4/c1-27-10-7-15-32(20-27)38-26-30(33-16-5-6-17-34(33)38)25-36(22-28-11-8-18-35-21-28)23-29-12-9-19-37(24-29)31-13-3-2-4-14-31/h5-8,10-11,15-18,20-21,26,29,31H,2-4,9,12-14,19,22-25H2,1H3
InChIKeyDPMJXUFXRHFOSJ-UHFFFAOYSA-N
XLogP7.38
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.74
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine (CID 167070521) is 1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine is Cc1cccc(-n2cc(CN(Cc3cccnc3)CC3CCCN(C4CCCCC4)C3)c3ccccc32)c1.
What is the InChIKey of 1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is DPMJXUFXRHFOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4/c1-27-10-7-15-32(20-27)38-26-30(33-16-5-6-17-34(33)38)25-36(22-28-11-8-18-35-21-28)23-29-12-9-19-37(24-29)31-13-3-2-4-14-31/h5-8,10-11,15-18,20-21,26,29,31H,2-4,9,12-14,19,22-25H2,1H3.
What are the key properties of 1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine?
1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 506.74 g/mol, XLogP of 7.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-3-yl)-N-[[1-(3-methylphenyl)indol-3-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 167070521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).