N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

C27H36N2O4 — CID 55637812

IUPACN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)ccc1OCC(C)C
InChIInChI=1S/C27H36N2O4/c1-19(2)18-33-24-13-12-22(16-25(24)32-4)20(3)28-27(31)23-11-8-14-29(17-23)26(30)15-21-9-6-5-7-10-21/h5-7,9-10,12-13,16,19-20,23H,8,11,14-15,17-18H2,1-4H3,(H,28,31)
InChIKeyYRULEUPPPWCJKY-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.39
Rot. Bonds9

About N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 55637812) has the molecular formula C27H36N2O4 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID55637812
Molecular FormulaC27H36N2O4
Molecular Weight452.60 g/mol
Exact Mass452.27
IUPAC NameN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)ccc1OCC(C)C
InChIInChI=1S/C27H36N2O4/c1-19(2)18-33-24-13-12-22(16-25(24)32-4)20(3)28-27(31)23-11-8-14-29(17-23)26(30)15-21-9-6-5-7-10-21/h5-7,9-10,12-13,16,19-20,23H,8,11,14-15,17-18H2,1-4H3,(H,28,31)
InChIKeyYRULEUPPPWCJKY-UHFFFAOYSA-N
XLogP4.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 55748663
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407957
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119732102
1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 46773192
1-ethylsulfonyl-N-[(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 51940554
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288240
(2R)-4-methyl-2-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119363661
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42958521
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 55637812) is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is COc1cc(C(C)NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)ccc1OCC(C)C.
What is the InChIKey of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is YRULEUPPPWCJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4/c1-19(2)18-33-24-13-12-22(16-25(24)32-4)20(3)28-27(31)23-11-8-14-29(17-23)26(30)15-21-9-6-5-7-10-21/h5-7,9-10,12-13,16,19-20,23H,8,11,14-15,17-18H2,1-4H3,(H,28,31).
What are the key properties of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 452.60 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 55637812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).