2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C20H30ClN3O3 — CID 120889665

IUPAC2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOCC1(CNC(=O)C(NC(=O)c2ccccc2Cl)C(C)C)CCNCC1
InChIInChI=1S/C20H30ClN3O3/c1-14(2)17(24-18(25)15-6-4-5-7-16(15)21)19(26)23-12-20(13-27-3)8-10-22-11-9-20/h4-7,14,17,22H,8-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyRXLZMBSOQLIFJV-UHFFFAOYSA-N
MW395.93 g/mol
LogP2.23
Rot. Bonds8

About 2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 120889665) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is 2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID120889665
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Name2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOCC1(CNC(=O)C(NC(=O)c2ccccc2Cl)C(C)C)CCNCC1
InChIInChI=1S/C20H30ClN3O3/c1-14(2)17(24-18(25)15-6-4-5-7-16(15)21)19(26)23-12-20(13-27-3)8-10-22-11-9-20/h4-7,14,17,22H,8-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyRXLZMBSOQLIFJV-UHFFFAOYSA-N
XLogP2.23
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 120891910
N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120888910
N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 120889673
(2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
CID 120890091
2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120890520
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 120889312
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 47100101
3-(2-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 120890243
2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120888337
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 120889270

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 120889665) is 2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is COCC1(CNC(=O)C(NC(=O)c2ccccc2Cl)C(C)C)CCNCC1.
What is the InChIKey of 2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is RXLZMBSOQLIFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O3/c1-14(2)17(24-18(25)15-6-4-5-7-16(15)21)19(26)23-12-20(13-27-3)8-10-22-11-9-20/h4-7,14,17,22H,8-13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 395.93 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 120889665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).