3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide

C20H29Cl2N3O2 — CID 170152750

IUPAC3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide
SMILESCCC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C20H29Cl2N3O2/c1-4-20(2,3)24-18(26)13-25-7-5-14(6-8-25)12-23-19(27)15-9-16(21)11-17(22)10-15/h9-11,14H,4-8,12-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGKUPHENYXWRNPP-UHFFFAOYSA-N
MW414.38 g/mol
LogP3.74
Rot. Bonds7

About 3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide

3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide (PubChem CID 170152750) has the molecular formula C20H29Cl2N3O2 and a molecular weight of 414.38 g/mol. Its IUPAC name is 3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide
PubChem CID170152750
Molecular FormulaC20H29Cl2N3O2
Molecular Weight414.38 g/mol
Exact Mass413.16
IUPAC Name3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide
SMILESCCC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C20H29Cl2N3O2/c1-4-20(2,3)24-18(26)13-25-7-5-14(6-8-25)12-23-19(27)15-9-16(21)11-17(22)10-15/h9-11,14H,4-8,12-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGKUPHENYXWRNPP-UHFFFAOYSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide
CID 44540506
N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide
CID 71517047
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119928203
N-[[1-[2-(tert-butylamino)-2-oxoethyl]-2,2,6,6-tetradeuteriopiperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide
CID 170676046
3-bromo-5-chloro-N-[[1-[2-[(1,2-dimethylcyclobutyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]benzamide
CID 71294916
3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide
CID 69300379
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 44540145
3,5-dichloro-N-[[4-fluoro-1-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]methyl]benzamide
CID 59455789
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(iodomethyl)-5-(trifluoromethyl)benzamide
CID 89410604
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide
CID 134423011
methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60672509

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide (CID 170152750) is 3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide is CCC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is GKUPHENYXWRNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29Cl2N3O2/c1-4-20(2,3)24-18(26)13-25-7-5-14(6-8-25)12-23-19(27)15-9-16(21)11-17(22)10-15/h9-11,14H,4-8,12-13H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide?
3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 414.38 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 170152750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).