N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide

C33H43N3O2 — CID 142579457

IUPACN-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide
SMILESCC(=O)N1CCC(N(CCC(c2cccc(C)c2)c2cn(C3CCCCC3)c3ccccc23)C(C)=O)CC1
InChIInChI=1S/C33H43N3O2/c1-24-10-9-11-27(22-24)30(18-21-35(26(3)38)29-16-19-34(20-17-29)25(2)37)32-23-36(28-12-5-4-6-13-28)33-15-8-7-14-31(32)33/h7-11,14-15,22-23,28-30H,4-6,12-13,16-21H2,1-3H3
InChIKeyDSQPBWAAJUIMAL-UHFFFAOYSA-N
MW513.73 g/mol
LogP6.84
Rot. Bonds7

About N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide

N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide (PubChem CID 142579457) has the molecular formula C33H43N3O2 and a molecular weight of 513.73 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide
PubChem CID142579457
Molecular FormulaC33H43N3O2
Molecular Weight513.73 g/mol
Exact Mass513.34
IUPAC NameN-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide
SMILESCC(=O)N1CCC(N(CCC(c2cccc(C)c2)c2cn(C3CCCCC3)c3ccccc23)C(C)=O)CC1
InChIInChI=1S/C33H43N3O2/c1-24-10-9-11-27(22-24)30(18-21-35(26(3)38)29-16-19-34(20-17-29)25(2)37)32-23-36(28-12-5-4-6-13-28)33-15-8-7-14-31(32)33/h7-11,14-15,22-23,28-30H,4-6,12-13,16-21H2,1-3H3
InChIKeyDSQPBWAAJUIMAL-UHFFFAOYSA-N
XLogP6.84
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.73
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride
CID 162459953
tert-butyl N-[3-(3-methylphenyl)-3-(1-piperidin-4-ylindol-3-yl)propyl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 142579610
3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine
CID 142579326
N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride
CID 162459838
4-[3-[1-(3-methylphenyl)-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-3-oxopropyl]indol-1-yl]piperidine-1-carboxylic acid
CID 166691535
4-N-[3-(1-cyclohexyl-5-nitroindol-3-yl)-3-(3-methylphenyl)propyl]cyclohexane-1,4-diamine;methane
CID 159488727
N'-[3-(1-cyclohexyl-5-isocyanoindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,3-diamine
CID 158039799
1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one
CID 142579700
1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane
CID 160945637
3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 142579537
N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
CID 142579745
3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-piperidin-1-ylpropan-1-one
CID 3980086

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide (CID 142579457) is N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide is CC(=O)N1CCC(N(CCC(c2cccc(C)c2)c2cn(C3CCCCC3)c3ccccc23)C(C)=O)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide?
The InChIKey is DSQPBWAAJUIMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O2/c1-24-10-9-11-27(22-24)30(18-21-35(26(3)38)29-16-19-34(20-17-29)25(2)37)32-23-36(28-12-5-4-6-13-28)33-15-8-7-14-31(32)33/h7-11,14-15,22-23,28-30H,4-6,12-13,16-21H2,1-3H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide?
N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide has a molecular weight of 513.73 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide is sourced from PubChem (CID 142579457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).