methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate

C26H29N3O4 — CID 11955471

IUPACmethyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1N(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H29N3O4/c1-32-26(31)27-22-10-5-6-11-23(22)29(25(30)24-12-7-19-33-24)21-14-17-28(18-15-21)16-13-20-8-3-2-4-9-20/h2-12,19,21H,13-18H2,1H3,(H,27,31)
InChIKeySHMINLSCJYCUON-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.81
Rot. Bonds7

About methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate

methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate (PubChem CID 11955471) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate
PubChem CID11955471
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Namemethyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1N(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H29N3O4/c1-32-26(31)27-22-10-5-6-11-23(22)29(25(30)24-12-7-19-33-24)21-14-17-28(18-15-21)16-13-20-8-3-2-4-9-20/h2-12,19,21H,13-18H2,1H3,(H,27,31)
InChIKeySHMINLSCJYCUON-UHFFFAOYSA-N
XLogP4.81
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide
CID 10429616
N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide
CID 118895801
N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 165361570
[2-[3-[4-[N-(furan-2-carbonyl)-4-methylanilino]piperidin-1-yl]propyl]phenyl]carbamic acid
CID 69146198
N-[1-(2-phenylethyl)piperidin-4-yl]-N-quinolin-3-ylfuran-2-carboxamide
CID 14330418
methyl (E)-4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)but-2-enoate
CID 10834364
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 175263076
N-(1-benzylpiperidin-4-yl)-N-cyclopropylfuran-2-carboxamide
CID 3256683
N-(3-acetamidophenyl)-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;oxalic acid
CID 11620778
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide
CID 24731871
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate (CID 11955471) is methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate is COC(=O)Nc1ccccc1N(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate?
The InChIKey is SHMINLSCJYCUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-32-26(31)27-22-10-5-6-11-23(22)29(25(30)24-12-7-19-33-24)21-14-17-28(18-15-21)16-13-20-8-3-2-4-9-20/h2-12,19,21H,13-18H2,1H3,(H,27,31).
What are the key properties of methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate?
methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate has a molecular weight of 447.54 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate is sourced from PubChem (CID 11955471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).