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

C24H39FN4O — CID 45207108

IUPACN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide
SMILESCN(C)CCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)CN1CCCCC1
InChIInChI=1S/C24H39FN4O/c1-26(2)15-16-29(24(30)20-27-12-6-3-7-13-27)18-21-9-8-14-28(17-21)19-22-10-4-5-11-23(22)25/h4-5,10-11,21H,3,6-9,12-20H2,1-2H3
InChIKeySZJQMWLWHKNGBO-UHFFFAOYSA-N
MW418.60 g/mol
LogP2.91
Rot. Bonds9

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

N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide (PubChem CID 45207108) has the molecular formula C24H39FN4O and a molecular weight of 418.60 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide
PubChem CID45207108
Molecular FormulaC24H39FN4O
Molecular Weight418.60 g/mol
Exact Mass418.31
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide
SMILESCN(C)CCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)CN1CCCCC1
InChIInChI=1S/C24H39FN4O/c1-26(2)15-16-29(24(30)20-27-12-6-3-7-13-27)18-21-9-8-14-28(17-21)19-22-10-4-5-11-23(22)25/h4-5,10-11,21H,3,6-9,12-20H2,1-2H3
InChIKeySZJQMWLWHKNGBO-UHFFFAOYSA-N
XLogP2.91
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25396069
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 25283890
N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 45234068
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]-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
methyl 5-[2-(dimethylamino)ethyl-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]amino]-5-oxopentanoate
CID 25478516
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide
CID 45211956
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97281831

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide (CID 45207108) is N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide is CN(C)CCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)CN1CCCCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide?
The InChIKey is SZJQMWLWHKNGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39FN4O/c1-26(2)15-16-29(24(30)20-27-12-6-3-7-13-27)18-21-9-8-14-28(17-21)19-22-10-4-5-11-23(22)25/h4-5,10-11,21H,3,6-9,12-20H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide?
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide has a molecular weight of 418.60 g/mol, XLogP of 2.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 45207108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).