N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide

C19H30N2O2 — CID 51726434

IUPACN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1
InChIInChI=1S/C19H30N2O2/c1-15-11-16(2)13-21(12-15)10-4-9-20-19(22)18-7-5-17(6-8-18)14-23-3/h5-8,15-16H,4,9-14H2,1-3H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyKHAZEUMMSGYXHT-HZPDHXFCSA-N
MW318.46 g/mol
LogP2.93
Rot. Bonds7

About N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide

N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide (PubChem CID 51726434) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
PubChem CID51726434
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1
InChIInChI=1S/C19H30N2O2/c1-15-11-16(2)13-21(12-15)10-4-9-20-19(22)18-7-5-17(6-8-18)14-23-3/h5-8,15-16H,4,9-14H2,1-3H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyKHAZEUMMSGYXHT-HZPDHXFCSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55782424
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55735264
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide
CID 55811483
N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide
CID 56812631
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 55782044
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]benzamide
CID 55811580
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide
CID 92684505
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
CID 94123444
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide
CID 38018400

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide (CID 51726434) is N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1.
What is the InChIKey of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide?
The InChIKey is KHAZEUMMSGYXHT-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-11-16(2)13-21(12-15)10-4-9-20-19(22)18-7-5-17(6-8-18)14-23-3/h5-8,15-16H,4,9-14H2,1-3H3,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide?
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide has a molecular weight of 318.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 51726434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).