4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C21H33N3O — CID 166622779

IUPAC4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(CC3CCNC3)cc2)CC(C)(C)N1
InChIInChI=1S/C21H33N3O/c1-20(2)12-18(13-21(3,4)24-20)23-19(25)17-7-5-15(6-8-17)11-16-9-10-22-14-16/h5-8,16,18,22,24H,9-14H2,1-4H3,(H,23,25)
InChIKeyZDAGSZDNSHPHBZ-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.88
Rot. Bonds4

About 4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 166622779) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is 4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID166622779
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC Name4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(CC3CCNC3)cc2)CC(C)(C)N1
InChIInChI=1S/C21H33N3O/c1-20(2)12-18(13-21(3,4)24-20)23-19(25)17-7-5-15(6-8-17)11-16-9-10-22-14-16/h5-8,16,18,22,24H,9-14H2,1-4H3,(H,23,25)
InChIKeyZDAGSZDNSHPHBZ-UHFFFAOYSA-N
XLogP2.88
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 17425450
4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide
CID 124566275
4-anilino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679426
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
CID 142858822
2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetic acid
CID 115031443
4-[(2,2-dimethylpropanoylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450570
4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679298
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride
CID 171325623
4-pyridin-4-yloxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679480

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 166622779) is 4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(CC3CCNC3)cc2)CC(C)(C)N1.
What is the InChIKey of 4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is ZDAGSZDNSHPHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-20(2)12-18(13-21(3,4)24-20)23-19(25)17-7-5-15(6-8-17)11-16-9-10-22-14-16/h5-8,16,18,22,24H,9-14H2,1-4H3,(H,23,25).
What are the key properties of 4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 343.52 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 166622779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).