N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide

C20H30N2O2 — CID 47042015

IUPACN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)C3CCCO3)cc2)C1
InChIInChI=1S/C20H30N2O2/c1-15-10-16(2)13-22(12-15)14-18-7-5-17(6-8-18)11-21-20(23)19-4-3-9-24-19/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeySYBFTQSYUZTMNH-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.96
Rot. Bonds5

About N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide (PubChem CID 47042015) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
PubChem CID47042015
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)C3CCCO3)cc2)C1
InChIInChI=1S/C20H30N2O2/c1-15-10-16(2)13-22(12-15)14-18-7-5-17(6-8-18)11-21-20(23)19-4-3-9-24-19/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeySYBFTQSYUZTMNH-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
(2R,3S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120939080
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865
(3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 100853149
(2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633174
N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide
CID 110784547
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 60515869
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47042053
N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
CID 110780449

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide (CID 47042015) is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide is CC1CC(C)CN(Cc2ccc(CNC(=O)C3CCCO3)cc2)C1.
What is the InChIKey of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is SYBFTQSYUZTMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-10-16(2)13-22(12-15)14-18-7-5-17(6-8-18)11-21-20(23)19-4-3-9-24-19/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide?
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 47042015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).