benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate

C32H43N3O2 — CID 139547430

IUPACbenzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate
SMILESCc1ccc2c(c1)cc(CNC(=O)OCc1ccccc1)n2C1CCN(C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C32H43N3O2/c1-23(2)26-10-12-28(13-11-26)34-17-15-29(16-18-34)35-30(20-27-19-24(3)9-14-31(27)35)21-33-32(36)37-22-25-7-5-4-6-8-25/h4-9,14,19-20,23,26,28-29H,10-13,15-18,21-22H2,1-3H3,(H,33,36)
InChIKeyHRLLWJQRLZFHFM-UHFFFAOYSA-N
MW501.72 g/mol
LogP7.23
Rot. Bonds7

About benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate

benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate (PubChem CID 139547430) has the molecular formula C32H43N3O2 and a molecular weight of 501.72 g/mol. Its IUPAC name is benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate
PubChem CID139547430
Molecular FormulaC32H43N3O2
Molecular Weight501.72 g/mol
Exact Mass501.34
IUPAC Namebenzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate
SMILESCc1ccc2c(c1)cc(CNC(=O)OCc1ccccc1)n2C1CCN(C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C32H43N3O2/c1-23(2)26-10-12-28(13-11-26)34-17-15-29(16-18-34)35-30(20-27-19-24(3)9-14-31(27)35)21-33-32(36)37-22-25-7-5-4-6-8-25/h4-9,14,19-20,23,26,28-29H,10-13,15-18,21-22H2,1-3H3,(H,33,36)
InChIKeyHRLLWJQRLZFHFM-UHFFFAOYSA-N
XLogP7.23
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.72
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate with MolForge

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Related Compounds

[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
CID 135367933
benzyl N-[[3-[(Z)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]carbamate
CID 139547532
1-cyclopropylethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 130300909
[5-fluoro-3-(hydroxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
CID 134563451
1-(phenylmethoxycarbonylaminomethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 165478968
benzyl 3-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;benzyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 162235352
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
diethyl 2-[2-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]propanedioate
CID 72533168
benzyl N-[[(2S)-1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]carbamate
CID 59362143
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 131198455
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 130161324

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate (CID 139547430) is benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate is Cc1ccc2c(c1)cc(CNC(=O)OCc1ccccc1)n2C1CCN(C2CCC(C(C)C)CC2)CC1.
What is the InChIKey of benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate?
The InChIKey is HRLLWJQRLZFHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O2/c1-23(2)26-10-12-28(13-11-26)34-17-15-29(16-18-34)35-30(20-27-19-24(3)9-14-31(27)35)21-33-32(36)37-22-25-7-5-4-6-8-25/h4-9,14,19-20,23,26,28-29H,10-13,15-18,21-22H2,1-3H3,(H,33,36).
What are the key properties of benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate?
benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate has a molecular weight of 501.72 g/mol, XLogP of 7.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate is sourced from PubChem (CID 139547430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).