N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide

C22H32N2O3 — CID 121021220

IUPACN-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCC1CCN(C2CCOC2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H32N2O3/c25-21(22(9-14-26-15-10-22)19-4-2-1-3-5-19)23-16-18-6-11-24(12-7-18)20-8-13-27-17-20/h1-5,18,20H,6-17H2,(H,23,25)
InChIKeyCXVUZDDMXCDYDH-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.35
Rot. Bonds5

About N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide

N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide (PubChem CID 121021220) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide
PubChem CID121021220
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCC1CCN(C2CCOC2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H32N2O3/c25-21(22(9-14-26-15-10-22)19-4-2-1-3-5-19)23-16-18-6-11-24(12-7-18)20-8-13-27-17-20/h1-5,18,20H,6-17H2,(H,23,25)
InChIKeyCXVUZDDMXCDYDH-UHFFFAOYSA-N
XLogP2.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide
CID 125321723
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-phenyloxane-4-carboxamide
CID 163049358
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 121021211
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 119104036
1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 119104084
1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 131703048
N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 106124685
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 119104065
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 94488648
N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 56704001

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide (CID 121021220) is N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide is O=C(NCC1CCN(C2CCOC2)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide?
The InChIKey is CXVUZDDMXCDYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c25-21(22(9-14-26-15-10-22)19-4-2-1-3-5-19)23-16-18-6-11-24(12-7-18)20-8-13-27-17-20/h1-5,18,20H,6-17H2,(H,23,25).
What are the key properties of N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide?
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 121021220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).