N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide

C25H32N2O2 — CID 94023381

IUPACN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESC[C@@H]1CCCN(Cc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)C1
InChIInChI=1S/C25H32N2O2/c1-18-7-6-14-27(16-18)17-19-10-12-20(13-11-19)24(28)26-22-15-25(2,3)29-23-9-5-4-8-21(22)23/h4-5,8-13,18,22H,6-7,14-17H2,1-3H3,(H,26,28)/t18-,22-/m1/s1
InChIKeyJRTWPQZASLBWHL-XMSQKQJNSA-N
MW392.54 g/mol
LogP4.95
Rot. Bonds4

About N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide (PubChem CID 94023381) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
PubChem CID94023381
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESC[C@@H]1CCCN(Cc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)C1
InChIInChI=1S/C25H32N2O2/c1-18-7-6-14-27(16-18)17-19-10-12-20(13-11-19)24(28)26-22-15-25(2,3)29-23-9-5-4-8-21(22)23/h4-5,8-13,18,22H,6-7,14-17H2,1-3H3,(H,26,28)/t18-,22-/m1/s1
InChIKeyJRTWPQZASLBWHL-XMSQKQJNSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide with MolForge

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Related Compounds

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133235478
4-(azepan-1-ylmethyl)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133161396
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94013924
4-(azepan-1-ylmethyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 94013930
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775465
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 99589244
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 99939718
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 132658756

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide (CID 94023381) is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide is C[C@@H]1CCCN(Cc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)C1.
What is the InChIKey of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
The InChIKey is JRTWPQZASLBWHL-XMSQKQJNSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18-7-6-14-27(16-18)17-19-10-12-20(13-11-19)24(28)26-22-15-25(2,3)29-23-9-5-4-8-21(22)23/h4-5,8-13,18,22H,6-7,14-17H2,1-3H3,(H,26,28)/t18-,22-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide has a molecular weight of 392.54 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 94023381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).