3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide

C23H32ClN3O3 — CID 45189249

IUPAC3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide
SMILESCN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC34CCC4)CC2)c(Cl)c1
InChIInChI=1S/C23H32ClN3O3/c1-26(2)13-10-25-21(28)16-4-5-20(19(24)14-16)30-17-6-11-27(12-7-17)22(29)18-15-23(18)8-3-9-23/h4-5,14,17-18H,3,6-13,15H2,1-2H3,(H,25,28)
InChIKeyRTDAYNSCVLUNBT-UHFFFAOYSA-N
MW433.98 g/mol
LogP3.19
Rot. Bonds7

About 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide

3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide (PubChem CID 45189249) has the molecular formula C23H32ClN3O3 and a molecular weight of 433.98 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide
PubChem CID45189249
Molecular FormulaC23H32ClN3O3
Molecular Weight433.98 g/mol
Exact Mass433.21
IUPAC Name3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide
SMILESCN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC34CCC4)CC2)c(Cl)c1
InChIInChI=1S/C23H32ClN3O3/c1-26(2)13-10-25-21(28)16-4-5-20(19(24)14-16)30-17-6-11-27(12-7-17)22(29)18-15-23(18)8-3-9-23/h4-5,14,17-18H,3,6-13,15H2,1-2H3,(H,25,28)
InChIKeyRTDAYNSCVLUNBT-UHFFFAOYSA-N
XLogP3.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(3,3-dimethylcyclohexyl)piperidin-4-yl]oxybenzamide
CID 45193746
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(2-hydroxypropanoyl)piperidin-4-yl]oxybenzamide
CID 72881505
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(3-methylbut-2-enoyl)piperidin-4-yl]oxybenzamide
CID 42565360
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(2-methylbutanoyl)piperidin-4-yl]oxybenzamide
CID 45219247
3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide
CID 42557992
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide
CID 25365647
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(thiolan-3-yl)piperidin-4-yl]oxybenzamide
CID 45213969
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide
CID 25372511
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxybenzamide
CID 42199170
3-chloro-N-[2-(diethylamino)ethyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 42462227
3-chloro-4-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 97286367
3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 26408301

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide (CID 45189249) is 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide is CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC34CCC4)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide?
The InChIKey is RTDAYNSCVLUNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O3/c1-26(2)13-10-25-21(28)16-4-5-20(19(24)14-16)30-17-6-11-27(12-7-17)22(29)18-15-23(18)8-3-9-23/h4-5,14,17-18H,3,6-13,15H2,1-2H3,(H,25,28).
What are the key properties of 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide?
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide has a molecular weight of 433.98 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 45189249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).