N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide

C20H30N2O3 — CID 154738097

IUPACN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)C3(C)CCOC3)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-20(9-12-25-15-20)19(23)21-13-16-7-10-22(11-8-16)14-17-3-5-18(24-2)6-4-17/h3-6,16H,7-15H2,1-2H3,(H,21,23)
InChIKeyVROPGQDAUJUHMB-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.45
Rot. Bonds6

About N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide (PubChem CID 154738097) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide
PubChem CID154738097
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)C3(C)CCOC3)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-20(9-12-25-15-20)19(23)21-13-16-7-10-22(11-8-16)14-17-3-5-18(24-2)6-4-17/h3-6,16H,7-15H2,1-2H3,(H,21,23)
InChIKeyVROPGQDAUJUHMB-UHFFFAOYSA-N
XLogP2.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645450
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide
CID 154779710
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60600387
N'-[(4-methoxyphenyl)methyl]-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887107
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95041527
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119865560
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-phenylacetamide
CID 60599952
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 100729262

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide (CID 154738097) is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide is COc1ccc(CN2CCC(CNC(=O)C3(C)CCOC3)CC2)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide?
The InChIKey is VROPGQDAUJUHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(9-12-25-15-20)19(23)21-13-16-7-10-22(11-8-16)14-17-3-5-18(24-2)6-4-17/h3-6,16H,7-15H2,1-2H3,(H,21,23).
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide?
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 154738097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).