N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide

C20H32N2O2 — CID 119751165

IUPACN-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
SMILESCC(C)COc1cccc(CNC(=O)CC(C)C2CCNCC2)c1
InChIInChI=1S/C20H32N2O2/c1-15(2)14-24-19-6-4-5-17(12-19)13-22-20(23)11-16(3)18-7-9-21-10-8-18/h4-6,12,15-16,18,21H,7-11,13-14H2,1-3H3,(H,22,23)
InChIKeyCONJTCZAMXKARK-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.36
Rot. Bonds8

About N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide

N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119751165) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
PubChem CID119751165
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
SMILESCC(C)COc1cccc(CNC(=O)CC(C)C2CCNCC2)c1
InChIInChI=1S/C20H32N2O2/c1-15(2)14-24-19-6-4-5-17(12-19)13-22-20(23)11-16(3)18-7-9-21-10-8-18/h4-6,12,15-16,18,21H,7-11,13-14H2,1-3H3,(H,22,23)
InChIKeyCONJTCZAMXKARK-UHFFFAOYSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119714483
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
2-chloro-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 166403692
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119867437
N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119719754
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 119751157
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
(2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120625841
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide (CID 119751165) is N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide is CC(C)COc1cccc(CNC(=O)CC(C)C2CCNCC2)c1.
What is the InChIKey of N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is CONJTCZAMXKARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-15(2)14-24-19-6-4-5-17(12-19)13-22-20(23)11-16(3)18-7-9-21-10-8-18/h4-6,12,15-16,18,21H,7-11,13-14H2,1-3H3,(H,22,23).
What are the key properties of N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide?
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 332.49 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119751165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).