3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide

C22H30ClN3O3 — CID 42557992

IUPAC3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)C3=CCCC3)CC2)c(Cl)c1
InChIInChI=1S/C22H30ClN3O3/c1-25(2)14-11-24-21(27)17-7-8-20(19(23)15-17)29-18-9-12-26(13-10-18)22(28)16-5-3-4-6-16/h5,7-8,15,18H,3-4,6,9-14H2,1-2H3,(H,24,27)
InChIKeyBBOHIBUEOVLRBO-UHFFFAOYSA-N
MW419.95 g/mol
LogP3.11
Rot. Bonds7

About 3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide

3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 42557992) has the molecular formula C22H30ClN3O3 and a molecular weight of 419.95 g/mol. Its IUPAC name is 3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID42557992
Molecular FormulaC22H30ClN3O3
Molecular Weight419.95 g/mol
Exact Mass419.20
IUPAC Name3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)C3=CCCC3)CC2)c(Cl)c1
InChIInChI=1S/C22H30ClN3O3/c1-25(2)14-11-24-21(27)17-7-8-20(19(23)15-17)29-18-9-12-26(13-10-18)22(28)16-5-3-4-6-16/h5,7-8,15,18H,3-4,6,9-14H2,1-2H3,(H,24,27)
InChIKeyBBOHIBUEOVLRBO-UHFFFAOYSA-N
XLogP3.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.95
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide
CID 45189249
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-(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-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide
CID 25365647
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-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide (CID 42557992) is 3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)C3=CCCC3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is BBOHIBUEOVLRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O3/c1-25(2)14-11-24-21(27)17-7-8-20(19(23)15-17)29-18-9-12-26(13-10-18)22(28)16-5-3-4-6-16/h5,7-8,15,18H,3-4,6,9-14H2,1-2H3,(H,24,27).
What are the key properties of 3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide?
3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 419.95 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 42557992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).