2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide

C22H34N2O3 — CID 133246235

IUPAC2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide
SMILESCOC(C)(C(=O)Nc1ccc(OCCCN2CCCCC2C)cc1)C1CC1
InChIInChI=1S/C22H34N2O3/c1-17-7-4-5-14-24(17)15-6-16-27-20-12-10-19(11-13-20)23-21(25)22(2,26-3)18-8-9-18/h10-13,17-18H,4-9,14-16H2,1-3H3,(H,23,25)
InChIKeyQMDOHFNVBHNKGH-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.08
Rot. Bonds9

About 2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide

2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide (PubChem CID 133246235) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide
PubChem CID133246235
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide
SMILESCOC(C)(C(=O)Nc1ccc(OCCCN2CCCCC2C)cc1)C1CC1
InChIInChI=1S/C22H34N2O3/c1-17-7-4-5-14-24(17)15-6-16-27-20-12-10-19(11-13-20)23-21(25)22(2,26-3)18-8-9-18/h10-13,17-18H,4-9,14-16H2,1-3H3,(H,23,25)
InChIKeyQMDOHFNVBHNKGH-UHFFFAOYSA-N
XLogP4.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide
CID 100709144
(2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 125060316
2-cyclopropyl-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypropanamide
CID 133246460
(2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide
CID 100727279
(2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide
CID 100737614
2-cyclopropyl-2-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]propanamide
CID 133246232
(2R)-2-methyl-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxyheptanamide
CID 125061186
2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100736402
2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
CID 133246208
(2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 100738867
(2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide
CID 125061140
(2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 100708900

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide?
The IUPAC name of 2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide (CID 133246235) is 2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide?
The canonical SMILES for 2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide is COC(C)(C(=O)Nc1ccc(OCCCN2CCCCC2C)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide?
The InChIKey is QMDOHFNVBHNKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-17-7-4-5-14-24(17)15-6-16-27-20-12-10-19(11-13-20)23-21(25)22(2,26-3)18-8-9-18/h10-13,17-18H,4-9,14-16H2,1-3H3,(H,23,25).
What are the key properties of 2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide?
2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide has a molecular weight of 374.53 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide is sourced from PubChem (CID 133246235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).