4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide

C23H33N3O3 — CID 42241527

IUPAC4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
SMILESCN1CCC[C@@H]1CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C23H33N3O3/c1-25-14-2-3-19(25)10-13-24-22(27)17-6-8-20(9-7-17)29-21-11-15-26(16-12-21)23(28)18-4-5-18/h6-9,18-19,21H,2-5,10-16H2,1H3,(H,24,27)/t19-/m1/s1
InChIKeyKCQIBVCCGHXMSH-LJQANCHMSA-N
MW399.54 g/mol
LogP2.68
Rot. Bonds7

About 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide (PubChem CID 42241527) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
PubChem CID42241527
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
SMILESCN1CCC[C@@H]1CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C23H33N3O3/c1-25-14-2-3-19(25)10-13-24-22(27)17-6-8-20(9-7-17)29-21-11-15-26(16-12-21)23(28)18-4-5-18/h6-9,18-19,21H,2-5,10-16H2,1H3,(H,24,27)/t19-/m1/s1
InChIKeyKCQIBVCCGHXMSH-LJQANCHMSA-N
XLogP2.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30921211
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 72886728
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 30920617
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 72844969
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 72887706
cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 26398196
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide?
The IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide (CID 42241527) is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide?
The canonical SMILES for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide is CN1CCC[C@@H]1CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide?
The InChIKey is KCQIBVCCGHXMSH-LJQANCHMSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-25-14-2-3-19(25)10-13-24-22(27)17-6-8-20(9-7-17)29-21-11-15-26(16-12-21)23(28)18-4-5-18/h6-9,18-19,21H,2-5,10-16H2,1H3,(H,24,27)/t19-/m1/s1.
What are the key properties of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide?
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide has a molecular weight of 399.54 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 42241527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).