N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide

C21H30N2O3 — CID 136519865

IUPACN-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide
SMILESCCCN(C(=O)C1CCOC1C)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H30N2O3/c1-3-12-23(21(25)19-11-15-26-16(19)2)18-9-13-22(14-10-18)20(24)17-7-5-4-6-8-17/h4-8,16,18-19H,3,9-15H2,1-2H3
InChIKeyCLKHGZKIXYQCFQ-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.95
Rot. Bonds5

About N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide

N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide (PubChem CID 136519865) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide
PubChem CID136519865
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide
SMILESCCCN(C(=O)C1CCOC1C)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H30N2O3/c1-3-12-23(21(25)19-11-15-26-16(19)2)18-9-13-22(14-10-18)20(24)17-7-5-4-6-8-17/h4-8,16,18-19H,3,9-15H2,1-2H3
InChIKeyCLKHGZKIXYQCFQ-UHFFFAOYSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-N-propylmorpholine-2-carboxamide
CID 119762655
4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid
CID 119183312
[4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone
CID 75472621
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide
CID 79750074
1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
CID 59178266
1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 3305302
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(1-benzoylpiperidin-4-yl)-N-propylprop-2-enamide
CID 56523077
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide
CID 51132454
(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
CID 120920249

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide (CID 136519865) is N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide is CCCN(C(=O)C1CCOC1C)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide?
The InChIKey is CLKHGZKIXYQCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-3-12-23(21(25)19-11-15-26-16(19)2)18-9-13-22(14-10-18)20(24)17-7-5-4-6-8-17/h4-8,16,18-19H,3,9-15H2,1-2H3.
What are the key properties of N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide?
N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide is sourced from PubChem (CID 136519865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).