N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide

C25H31N3O3 — CID 92900952

IUPACN-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide
SMILESCN(C)c1ccc(C(=O)N2CCC[C@H](COc3cccc(C(=O)NC4CC4)c3)C2)cc1
InChIInChI=1S/C25H31N3O3/c1-27(2)22-12-8-19(9-13-22)25(30)28-14-4-5-18(16-28)17-31-23-7-3-6-20(15-23)24(29)26-21-10-11-21/h3,6-9,12-13,15,18,21H,4-5,10-11,14,16-17H2,1-2H3,(H,26,29)/t18-/m0/s1
InChIKeyZGBYZKGWAOZOSM-SFHVURJKSA-N
MW421.54 g/mol
LogP3.58
Rot. Bonds7

About N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide

N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide (PubChem CID 92900952) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide
PubChem CID92900952
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide
SMILESCN(C)c1ccc(C(=O)N2CCC[C@H](COc3cccc(C(=O)NC4CC4)c3)C2)cc1
InChIInChI=1S/C25H31N3O3/c1-27(2)22-12-8-19(9-13-22)25(30)28-14-4-5-18(16-28)17-31-23-7-3-6-20(15-23)24(29)26-21-10-11-21/h3,6-9,12-13,15,18,21H,4-5,10-11,14,16-17H2,1-2H3,(H,26,29)/t18-/m0/s1
InChIKeyZGBYZKGWAOZOSM-SFHVURJKSA-N
XLogP3.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92901057
N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92900980
N-cyclopropyl-3-[[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 50847037
N-cyclopropyl-3-[[1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 50846714
N-cyclopropyl-3-[[(3R)-1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 92900949
N-cyclopropyl-3-[[(3S)-1-propanoylpiperidin-3-yl]methoxy]benzamide
CID 92901036
3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 50846681
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 50846747
N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097799
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 92901011

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide (CID 92900952) is N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide is CN(C)c1ccc(C(=O)N2CCC[C@H](COc3cccc(C(=O)NC4CC4)c3)C2)cc1.
What is the InChIKey of N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide?
The InChIKey is ZGBYZKGWAOZOSM-SFHVURJKSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-27(2)22-12-8-19(9-13-22)25(30)28-14-4-5-18(16-28)17-31-23-7-3-6-20(15-23)24(29)26-21-10-11-21/h3,6-9,12-13,15,18,21H,4-5,10-11,14,16-17H2,1-2H3,(H,26,29)/t18-/m0/s1.
What are the key properties of N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide?
N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide has a molecular weight of 421.54 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 92900952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).