N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide

C19H30N2O — CID 100532484

IUPACN-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C19H30N2O/c1-14-6-7-17(4)18(11-14)19(22)20-8-5-9-21-12-15(2)10-16(3)13-21/h6-7,11,15-16H,5,8-10,12-13H2,1-4H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyIVWZMULUGWZZCN-HOTGVXAUSA-N
MW302.46 g/mol
LogP3.40
Rot. Bonds5

About N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide

N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide (PubChem CID 100532484) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
PubChem CID100532484
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C19H30N2O/c1-14-6-7-17(4)18(11-14)19(22)20-8-5-9-21-12-15(2)10-16(3)13-21/h6-7,11,15-16H,5,8-10,12-13H2,1-4H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyIVWZMULUGWZZCN-HOTGVXAUSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 94027819
2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide
CID 47038122
2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778171
(2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide
CID 99948309
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-methyl-3-nitrobenzamide
CID 51525429
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 94812474
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 55735354
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 51948398
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide
CID 47038146
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide (CID 100532484) is N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c1.
What is the InChIKey of N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide?
The InChIKey is IVWZMULUGWZZCN-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14-6-7-17(4)18(11-14)19(22)20-8-5-9-21-12-15(2)10-16(3)13-21/h6-7,11,15-16H,5,8-10,12-13H2,1-4H3,(H,20,22)/t15-,16-/m0/s1.
What are the key properties of N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide?
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide has a molecular weight of 302.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 100532484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).