N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide

C20H30N2O2 — CID 136511620

IUPACN-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
SMILESCN(C(=O)CCC1CCCO1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-21(20(23)12-11-19-10-6-14-24-19)18-9-5-13-22(16-18)15-17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-16H2,1H3
InChIKeyUVXUWTDMIPUXJY-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.07
Rot. Bonds6

About N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide

N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide (PubChem CID 136511620) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
PubChem CID136511620
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
SMILESCN(C(=O)CCC1CCCO1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-21(20(23)12-11-19-10-6-14-24-19)18-9-5-13-22(16-18)15-17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-16H2,1H3
InChIKeyUVXUWTDMIPUXJY-UHFFFAOYSA-N
XLogP3.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
CID 119857551
3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide
CID 118755533
N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
CID 136511616
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119857579
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanamide
CID 26326645
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
N-(azetidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 66187540
N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 127393578
N-(1-benzylpiperidin-3-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 75510961

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide (CID 136511620) is N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide is CN(C(=O)CCC1CCCO1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide?
The InChIKey is UVXUWTDMIPUXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-21(20(23)12-11-19-10-6-14-24-19)18-9-5-13-22(16-18)15-17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-16H2,1H3.
What are the key properties of N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide?
N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide has a molecular weight of 330.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 136511620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).