formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C25H32N2O3 — CID 154911735

IUPACformic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCN(C(=O)c1ccc(CN2CCCCC2)cc1)C1CCCc2ccccc21.O=CO
InChIInChI=1S/C24H30N2O.CH2O2/c1-25(23-11-7-9-20-8-3-4-10-22(20)23)24(27)21-14-12-19(13-15-21)18-26-16-5-2-6-17-26;2-1-3/h3-4,8,10,12-15,23H,2,5-7,9,11,16-18H2,1H3;1H,(H,2,3)
InChIKeyRBYWCRYOKBLMIM-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.52
Rot. Bonds4

About formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 154911735) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Nameformic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID154911735
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Nameformic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCN(C(=O)c1ccc(CN2CCCCC2)cc1)C1CCCc2ccccc21.O=CO
InChIInChI=1S/C24H30N2O.CH2O2/c1-25(23-11-7-9-20-8-3-4-10-22(20)23)24(27)21-14-12-19(13-15-21)18-26-16-5-2-6-17-26;2-1-3/h3-4,8,10,12-15,23H,2,5-7,9,11,16-18H2,1H3;1H,(H,2,3)
InChIKeyRBYWCRYOKBLMIM-UHFFFAOYSA-N
XLogP4.52
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9348705
tert-butyl N-[[4-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenyl]methyl]carbamate
CID 46555150
N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
N,3-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 94823990
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39976733
N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 96576738

Frequently Asked Questions

What is the IUPAC name of formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 154911735) is formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is CN(C(=O)c1ccc(CN2CCCCC2)cc1)C1CCCc2ccccc21.O=CO.
What is the InChIKey of formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is RBYWCRYOKBLMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O.CH2O2/c1-25(23-11-7-9-20-8-3-4-10-22(20)23)24(27)21-14-12-19(13-15-21)18-26-16-5-2-6-17-26;2-1-3/h3-4,8,10,12-15,23H,2,5-7,9,11,16-18H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 408.54 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 154911735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).