1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane

C31H45N3 — CID 160945637

IUPAC1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane
SMILESC.Cc1cccc(C(CCN2CCC(N)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1
InChIInChI=1S/C30H41N3.CH4/c1-23-8-7-11-25(20-23)27(16-19-32-17-14-26(31)15-18-32)29-22-33(21-24-9-3-2-4-10-24)30-13-6-5-12-28(29)30;/h5-8,11-13,20,22,24,26-27H,2-4,9-10,14-19,21,31H2,1H3;1H4
InChIKeySVBKEDZLOVKLJO-UHFFFAOYSA-N
MW459.72 g/mol
LogP7.11
Rot. Bonds7

About 1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane

1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane (PubChem CID 160945637) has the molecular formula C31H45N3 and a molecular weight of 459.72 g/mol. Its IUPAC name is 1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane.

Molecular Properties

Compound Name1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane
PubChem CID160945637
Molecular FormulaC31H45N3
Molecular Weight459.72 g/mol
Exact Mass459.36
IUPAC Name1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane
SMILESC.Cc1cccc(C(CCN2CCC(N)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1
InChIInChI=1S/C30H41N3.CH4/c1-23-8-7-11-25(20-23)27(16-19-32-17-14-26(31)15-18-32)29-22-33(21-24-9-3-2-4-10-24)30-13-6-5-12-28(29)30;/h5-8,11-13,20,22,24,26-27H,2-4,9-10,14-19,21,31H2,1H3;1H4
InChIKeySVBKEDZLOVKLJO-UHFFFAOYSA-N
XLogP7.11
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.72
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
CID 142579745
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-amine
CID 142579399
1-(cyclohexylmethyl)-3-[1-(3-methylphenyl)-4-piperidin-4-ylbutyl]indole
CID 158088466
5-(4-aminocyclohexyl)-1-[1-(cyclohexylmethyl)indol-3-yl]-1-(3-methylphenyl)pentan-3-one;hydrochloride
CID 158883705
1-[3-[1-(2-bicyclo[2.2.1]heptanyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine
CID 162459913
1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one
CID 142579700
4-N-[3-[1-(cyclohexylmethyl)-5-nitroindol-3-yl]-3-(3-methylphenyl)propyl]cyclohexane-1,4-diamine
CID 166691521
1-(4-aminocyclohexyl)-4-(3-methylphenyl)-4-[1-(piperidin-4-ylmethyl)indol-3-yl]butan-2-one;methane
CID 160968186
3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579389
N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
CID 142579624
3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide
CID 142579603
4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 166691488

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane?
The IUPAC name of 1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane (CID 160945637) is 1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane.
What is the SMILES notation for 1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane?
The canonical SMILES for 1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane is C.Cc1cccc(C(CCN2CCC(N)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1.
What is the InChIKey of 1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane?
The InChIKey is SVBKEDZLOVKLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3.CH4/c1-23-8-7-11-25(20-23)27(16-19-32-17-14-26(31)15-18-32)29-22-33(21-24-9-3-2-4-10-24)30-13-6-5-12-28(29)30;/h5-8,11-13,20,22,24,26-27H,2-4,9-10,14-19,21,31H2,1H3;1H4.
What are the key properties of 1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane?
1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane has a molecular weight of 459.72 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane is sourced from PubChem (CID 160945637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).