N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide

C23H37FN4O — CID 42286373

IUPACN-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide
SMILESCN(C)CCNC(=O)CCC1CCN(C2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C23H37FN4O/c1-26(2)18-13-25-23(29)8-7-19-9-14-27(15-10-19)20-11-16-28(17-12-20)22-6-4-3-5-21(22)24/h3-6,19-20H,7-18H2,1-2H3,(H,25,29)
InChIKeyIORWQLWOPVQITH-UHFFFAOYSA-N
MW404.57 g/mol
LogP2.96
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide

N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 42286373) has the molecular formula C23H37FN4O and a molecular weight of 404.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide
PubChem CID42286373
Molecular FormulaC23H37FN4O
Molecular Weight404.57 g/mol
Exact Mass404.30
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide
SMILESCN(C)CCNC(=O)CCC1CCN(C2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C23H37FN4O/c1-26(2)18-13-25-23(29)8-7-19-9-14-27(15-10-19)20-11-16-28(17-12-20)22-6-4-3-5-21(22)24/h3-6,19-20H,7-18H2,1-2H3,(H,25,29)
InChIKeyIORWQLWOPVQITH-UHFFFAOYSA-N
XLogP2.96
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.57
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide
CID 25276266
N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 20719712
N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 45234316
N-[2-(dimethylamino)ethyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109104067
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-3-hydroxypropanamide
CID 91790346
3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109017069
3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide
CID 111148259
N-[2-(dimethylamino)ethyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109083438
N-[2-(dimethylamino)ethyl]-3-[[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111148424
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 25481539
[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109229318

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide (CID 42286373) is N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide is CN(C)CCNC(=O)CCC1CCN(C2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is IORWQLWOPVQITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37FN4O/c1-26(2)18-13-25-23(29)8-7-19-9-14-27(15-10-19)20-11-16-28(17-12-20)22-6-4-3-5-21(22)24/h3-6,19-20H,7-18H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide?
N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 404.57 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 42286373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).