methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate

C26H40N2O2 — CID 142032884

IUPACmethyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
SMILESCOC(=O)N(C1CCC1)C1CCC(CN2CCC(CCCc3ccccc3)CC2)C1
InChIInChI=1S/C26H40N2O2/c1-30-26(29)28(24-11-6-12-24)25-14-13-23(19-25)20-27-17-15-22(16-18-27)10-5-9-21-7-3-2-4-8-21/h2-4,7-8,22-25H,5-6,9-20H2,1H3
InChIKeyGSMKRPXHLOCXBR-UHFFFAOYSA-N
MW412.62 g/mol
LogP5.51
Rot. Bonds8

About methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate

methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate (PubChem CID 142032884) has the molecular formula C26H40N2O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
PubChem CID142032884
Molecular FormulaC26H40N2O2
Molecular Weight412.62 g/mol
Exact Mass412.31
IUPAC Namemethyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
SMILESCOC(=O)N(C1CCC1)C1CCC(CN2CCC(CCCc3ccccc3)CC2)C1
InChIInChI=1S/C26H40N2O2/c1-30-26(29)28(24-11-6-12-24)25-14-13-23(19-25)20-27-17-15-22(16-18-27)10-5-9-21-7-3-2-4-8-21/h2-4,7-8,22-25H,5-6,9-20H2,1H3
InChIKeyGSMKRPXHLOCXBR-UHFFFAOYSA-N
XLogP5.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.62
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate with MolForge

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Related Compounds

methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032910
2-[methyl-[(3R)-3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 153052530
benzene;benzyl N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032996
benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine
CID 142033004
benzene;N-methylsulfanyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine
CID 142032855
benzene;2-[cyclohexyl-[(3R)-3-[[4-[3-(4-methylphenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 142033378
benzene;2-[cyclopentylmethyl-[3-[[4-[3-(4-methylphenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 142033383
N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide
CID 142032852
benzene;ethane;hexanoic acid;1-[(3-methylcyclopentyl)methyl]-4-(3-phenylpropyl)piperidine
CID 142033420
tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 22982761
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674

Frequently Asked Questions

What is the IUPAC name of methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate?
The IUPAC name of methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate (CID 142032884) is methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate.
What is the SMILES notation for methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate?
The canonical SMILES for methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate is COC(=O)N(C1CCC1)C1CCC(CN2CCC(CCCc3ccccc3)CC2)C1.
What is the InChIKey of methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate?
The InChIKey is GSMKRPXHLOCXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O2/c1-30-26(29)28(24-11-6-12-24)25-14-13-23(19-25)20-27-17-15-22(16-18-27)10-5-9-21-7-3-2-4-8-21/h2-4,7-8,22-25H,5-6,9-20H2,1H3.
What are the key properties of methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate?
methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate has a molecular weight of 412.62 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate is sourced from PubChem (CID 142032884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).