3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide

C21H33N3O2 — CID 91761249

IUPAC3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCN(C)c1ccc(CCC(=O)NC2CCN(CC3CCCO3)CC2)cc1
InChIInChI=1S/C21H33N3O2/c1-23(2)19-8-5-17(6-9-19)7-10-21(25)22-18-11-13-24(14-12-18)16-20-4-3-15-26-20/h5-6,8-9,18,20H,3-4,7,10-16H2,1-2H3,(H,22,25)
InChIKeyKWEGVYYHMODELI-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.44
Rot. Bonds7

About 3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide

3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 91761249) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide
PubChem CID91761249
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCN(C)c1ccc(CCC(=O)NC2CCN(CC3CCCO3)CC2)cc1
InChIInChI=1S/C21H33N3O2/c1-23(2)19-8-5-17(6-9-19)7-10-21(25)22-18-11-13-24(14-12-18)16-20-4-3-15-26-20/h5-6,8-9,18,20H,3-4,7,10-16H2,1-2H3,(H,22,25)
InChIKeyKWEGVYYHMODELI-UHFFFAOYSA-N
XLogP2.44
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyridin-4-ylpropanamide
CID 125176299
3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91791895
2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide
CID 124854189
3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110473838
3-[4-(dimethylamino)phenyl]-1-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]propan-1-one
CID 99973661
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263
3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide
CID 114549618
3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263
3-(4-chlorophenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 108556607
4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide
CID 125158263

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide (CID 91761249) is 3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide is CN(C)c1ccc(CCC(=O)NC2CCN(CC3CCCO3)CC2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is KWEGVYYHMODELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-23(2)19-8-5-17(6-9-19)7-10-21(25)22-18-11-13-24(14-12-18)16-20-4-3-15-26-20/h5-6,8-9,18,20H,3-4,7,10-16H2,1-2H3,(H,22,25).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide?
3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 359.51 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91761249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).