N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C19H26N2O3 — CID 95567750

IUPACN-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H26N2O3/c1-13-5-3-6-14(2)21(13)18(22)12-24-17-8-4-7-16(11-17)20-19(23)15-9-10-15/h4,7-8,11,13-15H,3,5-6,9-10,12H2,1-2H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyYWEILRGLCUXZRY-ZIAGYGMSSA-N
MW330.43 g/mol
LogP3.20
Rot. Bonds5

About N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 95567750) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID95567750
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H26N2O3/c1-13-5-3-6-14(2)21(13)18(22)12-24-17-8-4-7-16(11-17)20-19(23)15-9-10-15/h4,7-8,11,13-15H,3,5-6,9-10,12H2,1-2H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyYWEILRGLCUXZRY-ZIAGYGMSSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 119473001
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone
CID 110755902
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 16769713
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
1-(2,6-dimethylpiperidin-1-yl)-2-(3-nitrophenoxy)ethanone
CID 78762245
N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119624774
N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide
CID 55633395
N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39571943
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713843
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 7964565

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 95567750) is N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is C[C@@H]1CCC[C@@H](C)N1C(=O)COc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is YWEILRGLCUXZRY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-5-3-6-14(2)21(13)18(22)12-24-17-8-4-7-16(11-17)20-19(23)15-9-10-15/h4,7-8,11,13-15H,3,5-6,9-10,12H2,1-2H3,(H,20,23)/t13-,14-/m1/s1.
What are the key properties of N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 95567750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).