N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide

C19H29N3O2 — CID 60574406

IUPACN-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide
SMILESCC1CC(C)CN(CC(C)NC(=O)CNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H29N3O2/c1-14-9-15(2)12-22(11-14)13-16(3)21-18(23)10-20-19(24)17-7-5-4-6-8-17/h4-8,14-16H,9-13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyAERXFCLNGJEEPS-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.90
Rot. Bonds6

About N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide

N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide (PubChem CID 60574406) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide
PubChem CID60574406
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide
SMILESCC1CC(C)CN(CC(C)NC(=O)CNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H29N3O2/c1-14-9-15(2)12-22(11-14)13-16(3)21-18(23)10-20-19(24)17-7-5-4-6-8-17/h4-8,14-16H,9-13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyAERXFCLNGJEEPS-UHFFFAOYSA-N
XLogP1.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide
CID 52908771
N-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-4-(phenylsulfamoyl)benzamide
CID 52741034
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119863555
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]pyrimidine-2-carboxamide
CID 95772449
(4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 95581574
N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide
CID 94800701
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide
CID 60574501
2-(2-cyanophenyl)sulfanyl-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]benzamide
CID 60575687
N-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 1118538
4-[[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]methyl]benzoic acid
CID 122030648
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide
CID 60573440
(2S)-2-[(2-benzamidoacetyl)amino]-3-methylbutanoic acid
CID 11054996

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide (CID 60574406) is N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide is CC1CC(C)CN(CC(C)NC(=O)CNC(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide?
The InChIKey is AERXFCLNGJEEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-9-15(2)12-22(11-14)13-16(3)21-18(23)10-20-19(24)17-7-5-4-6-8-17/h4-8,14-16H,9-13H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide?
N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide has a molecular weight of 331.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 60574406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).