methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate

C21H30N2O4 — CID 156864271

IUPACmethyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CCC(c3ccc(C(C)(C)O)cc3)CC2)C1
InChIInChI=1S/C21H30N2O4/c1-21(2,26)17-6-4-14(5-7-17)15-8-10-23(11-9-15)19(24)16-12-18(13-16)22-20(25)27-3/h4-7,15-16,18,26H,8-13H2,1-3H3,(H,22,25)
InChIKeyFWBSQIIRBLWIMA-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.75
Rot. Bonds4

About methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate

methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate (PubChem CID 156864271) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate
PubChem CID156864271
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Namemethyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CCC(c3ccc(C(C)(C)O)cc3)CC2)C1
InChIInChI=1S/C21H30N2O4/c1-21(2,26)17-6-4-14(5-7-17)15-8-10-23(11-9-15)19(24)16-12-18(13-16)22-20(25)27-3/h4-7,15-16,18,26H,8-13H2,1-3H3,(H,22,25)
InChIKeyFWBSQIIRBLWIMA-UHFFFAOYSA-N
XLogP2.75
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate with MolForge

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Related Compounds

methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864343
methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864304
tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 156864323
methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate
CID 156825741
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride
CID 120641199
tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 158395553
methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864335
N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide
CID 156864422
tert-butyl N-[(1S,3R)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 71064373
(8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864446
2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one
CID 167704899
methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
CID 156864542

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate?
The IUPAC name of methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate (CID 156864271) is methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate.
What is the SMILES notation for methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate?
The canonical SMILES for methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate is COC(=O)NC1CC(C(=O)N2CCC(c3ccc(C(C)(C)O)cc3)CC2)C1.
What is the InChIKey of methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate?
The InChIKey is FWBSQIIRBLWIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-21(2,26)17-6-4-14(5-7-17)15-8-10-23(11-9-15)19(24)16-12-18(13-16)22-20(25)27-3/h4-7,15-16,18,26H,8-13H2,1-3H3,(H,22,25).
What are the key properties of methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate?
methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate has a molecular weight of 374.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate is sourced from PubChem (CID 156864271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).