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

C17H26N2O3 — CID 664358

IUPACN-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCCCN2)ccc1OCC(C)C
InChIInChI=1S/C17H26N2O3/c1-12(2)11-22-15-8-7-13(10-16(15)21-3)19-17(20)14-6-4-5-9-18-14/h7-8,10,12,14,18H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyVBNBNRGUOJCTJP-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.81
Rot. Bonds6

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

N-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide (PubChem CID 664358) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
PubChem CID664358
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCCCN2)ccc1OCC(C)C
InChIInChI=1S/C17H26N2O3/c1-12(2)11-22-15-8-7-13(10-16(15)21-3)19-17(20)14-6-4-5-9-18-14/h7-8,10,12,14,18H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyVBNBNRGUOJCTJP-UHFFFAOYSA-N
XLogP2.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide (CID 664358) is N-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide is COc1cc(NC(=O)C2CCCCN2)ccc1OCC(C)C.
What is the InChIKey of N-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide?
The InChIKey is VBNBNRGUOJCTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)11-22-15-8-7-13(10-16(15)21-3)19-17(20)14-6-4-5-9-18-14/h7-8,10,12,14,18H,4-6,9,11H2,1-3H3,(H,19,20).
What are the key properties of N-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide?
N-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-methylpropoxy)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 664358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).