1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone

C19H28F2N4O2 — CID 126798913

IUPAC1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone
SMILESCN(C)Cc1ccc(N2CCN(C(=O)C(F)(F)C3(O)CCCC3)CC2)nc1
InChIInChI=1S/C19H28F2N4O2/c1-23(2)14-15-5-6-16(22-13-15)24-9-11-25(12-10-24)17(26)19(20,21)18(27)7-3-4-8-18/h5-6,13,27H,3-4,7-12,14H2,1-2H3
InChIKeyYWNWTDJRNMVMJW-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.73
Rot. Bonds5

About 1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone

1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone (PubChem CID 126798913) has the molecular formula C19H28F2N4O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone
PubChem CID126798913
Molecular FormulaC19H28F2N4O2
Molecular Weight382.46 g/mol
Exact Mass382.22
IUPAC Name1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone
SMILESCN(C)Cc1ccc(N2CCN(C(=O)C(F)(F)C3(O)CCCC3)CC2)nc1
InChIInChI=1S/C19H28F2N4O2/c1-23(2)14-15-5-6-16(22-13-15)24-9-11-25(12-10-24)17(26)19(20,21)18(27)7-3-4-8-18/h5-6,13,27H,3-4,7-12,14H2,1-2H3
InChIKeyYWNWTDJRNMVMJW-UHFFFAOYSA-N
XLogP1.73
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone with MolForge

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Related Compounds

1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
CID 166010057
[4-(dimethylamino)-2,3-dihydrochromen-4-yl]-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166213116
N-[(2S)-1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-4-fluorobenzamide
CID 166402695
2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166261507
1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 75467585
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
CID 166235300
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-[3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]methanone
CID 166402719
(7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166402725
1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 167890751
4-acetyl-2-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]benzonitrile
CID 133457756
6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83967781
1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one
CID 166228383

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone (CID 126798913) is 1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone is CN(C)Cc1ccc(N2CCN(C(=O)C(F)(F)C3(O)CCCC3)CC2)nc1.
What is the InChIKey of 1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone?
The InChIKey is YWNWTDJRNMVMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N4O2/c1-23(2)14-15-5-6-16(22-13-15)24-9-11-25(12-10-24)17(26)19(20,21)18(27)7-3-4-8-18/h5-6,13,27H,3-4,7-12,14H2,1-2H3.
What are the key properties of 1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone?
1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone has a molecular weight of 382.46 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 126798913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).