N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide

C19H30N2O2 — CID 60573440

IUPACN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)CN2CC(C)CC(C)C2)ccc1C
InChIInChI=1S/C19H30N2O2/c1-13-8-14(2)11-21(10-13)12-16(4)20-19(22)17-7-6-15(3)18(9-17)23-5/h6-7,9,13-14,16H,8,10-12H2,1-5H3,(H,20,22)
InChIKeyDSIKDJSAKYYHJO-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.10
Rot. Bonds5

About N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide

N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide (PubChem CID 60573440) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide
PubChem CID60573440
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)CN2CC(C)CC(C)C2)ccc1C
InChIInChI=1S/C19H30N2O2/c1-13-8-14(2)11-21(10-13)12-16(4)20-19(22)17-7-6-15(3)18(9-17)23-5/h6-7,9,13-14,16H,8,10-12H2,1-5H3,(H,20,22)
InChIKeyDSIKDJSAKYYHJO-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 99845628
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide
CID 60574123
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119863555
N-[(2S)-1-cyanopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 94346399
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]pyrimidine-2-carboxamide
CID 95772449
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 104782742
3-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]pyrazine-2-carboxamide
CID 60574444
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 51257114
N-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-4-(phenylsulfamoyl)benzamide
CID 52741034
N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide
CID 60574406
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51161913

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide (CID 60573440) is N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NC(C)CN2CC(C)CC(C)C2)ccc1C.
What is the InChIKey of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide?
The InChIKey is DSIKDJSAKYYHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13-8-14(2)11-21(10-13)12-16(4)20-19(22)17-7-6-15(3)18(9-17)23-5/h6-7,9,13-14,16H,8,10-12H2,1-5H3,(H,20,22).
What are the key properties of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide?
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide has a molecular weight of 318.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 60573440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).