N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide

C17H26FN5O — CID 97279001

IUPACN-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide
SMILESCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(F)nc3)CC2)C1
InChIInChI=1S/C17H26FN5O/c1-21-6-2-3-14(12-21)13-22-7-9-23(10-8-22)17(24)20-15-4-5-16(18)19-11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyQIZRFKFMWROSOF-CQSZACIVSA-N
MW335.43 g/mol
LogP1.71
Rot. Bonds3

About N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide

N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide (PubChem CID 97279001) has the molecular formula C17H26FN5O and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide
PubChem CID97279001
Molecular FormulaC17H26FN5O
Molecular Weight335.43 g/mol
Exact Mass335.21
IUPAC NameN-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide
SMILESCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(F)nc3)CC2)C1
InChIInChI=1S/C17H26FN5O/c1-21-6-2-3-14(12-21)13-22-7-9-23(10-8-22)17(24)20-15-4-5-16(18)19-11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyQIZRFKFMWROSOF-CQSZACIVSA-N
XLogP1.71
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(1-methylpiperidin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 11581776
N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide
CID 97284146
N-(3,4-dichlorophenyl)-4-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11648376
N-(3,4-dichlorophenyl)-4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11598084
N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 126781942
[4-[(3R)-3-[[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]methyl]piperidin-1-yl]cyclohexyl] acetate
CID 67220636
N-[6-(methylamino)-3-pyridinyl]-2-(1-methylpiperidin-3-yl)acetamide
CID 115274703
4-(cyclopropylmethyl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 47071641
N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
N-(3,4-dichlorophenyl)-4-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11698340
N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 95342000
N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
CID 125161166

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide (CID 97279001) is N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide is CN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(F)nc3)CC2)C1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide?
The InChIKey is QIZRFKFMWROSOF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26FN5O/c1-21-6-2-3-14(12-21)13-22-7-9-23(10-8-22)17(24)20-15-4-5-16(18)19-11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide?
N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 97279001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).