N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C22H29N3O4 — CID 120888678

IUPACN-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCOCC1(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CCNCC1
InChIInChI=1S/C22H29N3O4/c1-28-16-22(9-11-23-12-10-22)15-24-20(26)18(14-17-6-3-2-4-7-17)25-21(27)19-8-5-13-29-19/h2-8,13,18,23H,9-12,14-16H2,1H3,(H,24,26)(H,25,27)
InChIKeySOVILWNKSHPZEW-UHFFFAOYSA-N
MW399.49 g/mol
LogP1.75
Rot. Bonds9

About N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 120888678) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID120888678
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCOCC1(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CCNCC1
InChIInChI=1S/C22H29N3O4/c1-28-16-22(9-11-23-12-10-22)15-24-20(26)18(14-17-6-3-2-4-7-17)25-21(27)19-8-5-13-29-19/h2-8,13,18,23H,9-12,14-16H2,1H3,(H,24,26)(H,25,27)
InChIKeySOVILWNKSHPZEW-UHFFFAOYSA-N
XLogP1.75
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71917838
N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 111445302
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylmethoxypropanamide
CID 120890807
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 120889270
2-(2-benzylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891722
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 120887701

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 120888678) is N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is COCC1(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CCNCC1.
What is the InChIKey of N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is SOVILWNKSHPZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-28-16-22(9-11-23-12-10-22)15-24-20(26)18(14-17-6-3-2-4-7-17)25-21(27)19-8-5-13-29-19/h2-8,13,18,23H,9-12,14-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 1.75, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 120888678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).