4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride

C30H41ClN4O — CID 162459953

IUPAC4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride
SMILESCc1cccc(C(CCNC2CCN(C(N)=O)CC2)c2cn(C3CCCCC3)c3ccccc23)c1.Cl
InChIInChI=1S/C30H40N4O.ClH/c1-22-8-7-9-23(20-22)26(14-17-32-24-15-18-33(19-16-24)30(31)35)28-21-34(25-10-3-2-4-11-25)29-13-6-5-12-27(28)29;/h5-9,12-13,20-21,24-26,32H,2-4,10-11,14-19H2,1H3,(H2,31,35);1H
InChIKeyGFTNPKJNVCZGKJ-UHFFFAOYSA-N
MW509.14 g/mol
LogP6.53
Rot. Bonds7

About 4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride

4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride (PubChem CID 162459953) has the molecular formula C30H41ClN4O and a molecular weight of 509.14 g/mol. Its IUPAC name is 4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride
PubChem CID162459953
Molecular FormulaC30H41ClN4O
Molecular Weight509.14 g/mol
Exact Mass508.30
IUPAC Name4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride
SMILESCc1cccc(C(CCNC2CCN(C(N)=O)CC2)c2cn(C3CCCCC3)c3ccccc23)c1.Cl
InChIInChI=1S/C30H40N4O.ClH/c1-22-8-7-9-23(20-22)26(14-17-32-24-15-18-33(19-16-24)30(31)35)28-21-34(25-10-3-2-4-11-25)29-13-6-5-12-27(28)29;/h5-9,12-13,20-21,24-26,32H,2-4,10-11,14-19H2,1H3,(H2,31,35);1H
InChIKeyGFTNPKJNVCZGKJ-UHFFFAOYSA-N
XLogP6.53
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.14
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride
CID 162459838
N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide
CID 142579457
3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine
CID 142579326
4-N-[3-(1-cyclohexyl-5-nitroindol-3-yl)-3-(3-methylphenyl)propyl]cyclohexane-1,4-diamine;methane
CID 159488727
N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
CID 142579745
N-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane
CID 157117913
N'-[3-(1-cyclohexyl-5-isocyanoindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,3-diamine
CID 158039799
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
3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 142579537
4-N-[3-[1-(1-adamantylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexane-1,4-diamine;hydrochloride
CID 166691451
4-N-[3-[1-(cyclohexylmethyl)-5-nitroindol-3-yl]-3-(3-methylphenyl)propyl]cyclohexane-1,4-diamine
CID 166691521
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-amine
CID 142579399

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride (CID 162459953) is 4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride is Cc1cccc(C(CCNC2CCN(C(N)=O)CC2)c2cn(C3CCCCC3)c3ccccc23)c1.Cl.
What is the InChIKey of 4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride?
The InChIKey is GFTNPKJNVCZGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O.ClH/c1-22-8-7-9-23(20-22)26(14-17-32-24-15-18-33(19-16-24)30(31)35)28-21-34(25-10-3-2-4-11-25)29-13-6-5-12-27(28)29;/h5-9,12-13,20-21,24-26,32H,2-4,10-11,14-19H2,1H3,(H2,31,35);1H.
What are the key properties of 4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride?
4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride has a molecular weight of 509.14 g/mol, XLogP of 6.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 162459953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).