3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide

C20H31N3O2 — CID 118779926

IUPAC3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
SMILESCN(C)c1ccc(CCC(=O)N[C@H]2COC[C@@H]2N2CCCCC2)cc1
InChIInChI=1S/C20H31N3O2/c1-22(2)17-9-6-16(7-10-17)8-11-20(24)21-18-14-25-15-19(18)23-12-4-3-5-13-23/h6-7,9-10,18-19H,3-5,8,11-15H2,1-2H3,(H,21,24)/t18-,19-/m0/s1
InChIKeyMZTWDMGDSSYNSC-OALUTQOASA-N
MW345.49 g/mol
LogP2.05
Rot. Bonds6

About 3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide

3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide (PubChem CID 118779926) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
PubChem CID118779926
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
SMILESCN(C)c1ccc(CCC(=O)N[C@H]2COC[C@@H]2N2CCCCC2)cc1
InChIInChI=1S/C20H31N3O2/c1-22(2)17-9-6-16(7-10-17)8-11-20(24)21-18-14-25-15-19(18)23-12-4-3-5-13-23/h6-7,9-10,18-19H,3-5,8,11-15H2,1-2H3,(H,21,24)/t18-,19-/m0/s1
InChIKeyMZTWDMGDSSYNSC-OALUTQOASA-N
XLogP2.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.05
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

3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
CID 91788231
2-(1,3-benzodioxol-5-yl)-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 133266993
3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110473838
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
CID 122560557
N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 133266900
N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide
CID 133139049
3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide
CID 91761249
2-(2-methyl-1H-indol-3-yl)-N-(4-piperidin-1-yloxolan-3-yl)acetamide
CID 171359124
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]acetamide
CID 118767384
3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91791895
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide
CID 114549618

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide (CID 118779926) is 3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide is CN(C)c1ccc(CCC(=O)N[C@H]2COC[C@@H]2N2CCCCC2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide?
The InChIKey is MZTWDMGDSSYNSC-OALUTQOASA-N. The full InChI is InChI=1S/C20H31N3O2/c1-22(2)17-9-6-16(7-10-17)8-11-20(24)21-18-14-25-15-19(18)23-12-4-3-5-13-23/h6-7,9-10,18-19H,3-5,8,11-15H2,1-2H3,(H,21,24)/t18-,19-/m0/s1.
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide?
3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.05, 6 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-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide is sourced from PubChem (CID 118779926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).