N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide

C20H32N2O2 — CID 119339701

IUPACN-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCNCC2)c(OC(C)CC(C)C)c1
InChIInChI=1S/C20H32N2O2/c1-14(2)11-16(4)24-19-12-15(3)5-6-18(19)13-22-20(23)17-7-9-21-10-8-17/h5-6,12,14,16-17,21H,7-11,13H2,1-4H3,(H,22,23)
InChIKeyZPGYYLJPHSVTNO-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.42
Rot. Bonds7

About N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide

N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119339701) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID119339701
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCNCC2)c(OC(C)CC(C)C)c1
InChIInChI=1S/C20H32N2O2/c1-14(2)11-16(4)24-19-12-15(3)5-6-18(19)13-22-20(23)17-7-9-21-10-8-17/h5-6,12,14,16-17,21H,7-11,13H2,1-4H3,(H,22,23)
InChIKeyZPGYYLJPHSVTNO-UHFFFAOYSA-N
XLogP3.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339713
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119339576
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811777
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016193
3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811561
4-[[4-methyl-2-(3-methylbutoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674274
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119811574
N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119811706
N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119320245
(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124741336
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795636
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide (CID 119339701) is N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCNCC2)c(OC(C)CC(C)C)c1.
What is the InChIKey of N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is ZPGYYLJPHSVTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-14(2)11-16(4)24-19-12-15(3)5-6-18(19)13-22-20(23)17-7-9-21-10-8-17/h5-6,12,14,16-17,21H,7-11,13H2,1-4H3,(H,22,23).
What are the key properties of N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide?
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119339701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).