2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide

C26H37FN4O — CID 45211956

IUPAC2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide
SMILESCN(C)CCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)c1ccccc1N(C)C
InChIInChI=1S/C26H37FN4O/c1-28(2)16-17-31(26(32)23-12-6-8-14-25(23)29(3)4)19-21-10-9-15-30(18-21)20-22-11-5-7-13-24(22)27/h5-8,11-14,21H,9-10,15-20H2,1-4H3
InChIKeyRAUNRTKRYRQWNQ-UHFFFAOYSA-N
MW440.61 g/mol
LogP3.81
Rot. Bonds9

About 2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide

2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide (PubChem CID 45211956) has the molecular formula C26H37FN4O and a molecular weight of 440.61 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide
PubChem CID45211956
Molecular FormulaC26H37FN4O
Molecular Weight440.61 g/mol
Exact Mass440.30
IUPAC Name2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide
SMILESCN(C)CCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)c1ccccc1N(C)C
InChIInChI=1S/C26H37FN4O/c1-28(2)16-17-31(26(32)23-12-6-8-14-25(23)29(3)4)19-21-10-9-15-30(18-21)20-22-11-5-7-13-24(22)27/h5-8,11-14,21H,9-10,15-20H2,1-4H3
InChIKeyRAUNRTKRYRQWNQ-UHFFFAOYSA-N
XLogP3.81
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97281831
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25396069
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide
CID 45172593
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide
CID 45207108
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 97271006
2-(2,6-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 42593150
N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 45234068
N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide
CID 42396155
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 42241946
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-phenylpropanamide
CID 42245149
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]pent-4-enamide
CID 45225577
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide (CID 45211956) is 2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide is CN(C)CCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)c1ccccc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is RAUNRTKRYRQWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN4O/c1-28(2)16-17-31(26(32)23-12-6-8-14-25(23)29(3)4)19-21-10-9-15-30(18-21)20-22-11-5-7-13-24(22)27/h5-8,11-14,21H,9-10,15-20H2,1-4H3.
What are the key properties of 2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide?
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 440.61 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 45211956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).