N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide

C18H26ClFN4O — CID 97284146

IUPACN-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide
SMILESCN1CCC[C@H](CN2CCN(C(=O)Nc3cccc(Cl)c3F)CC2)C1
InChIInChI=1S/C18H26ClFN4O/c1-22-7-3-4-14(12-22)13-23-8-10-24(11-9-23)18(25)21-16-6-2-5-15(19)17(16)20/h2,5-6,14H,3-4,7-13H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyCLQSHVCRIQGOGU-AWEZNQCLSA-N
MW368.88 g/mol
LogP2.97
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide

N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide (PubChem CID 97284146) has the molecular formula C18H26ClFN4O and a molecular weight of 368.88 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide
PubChem CID97284146
Molecular FormulaC18H26ClFN4O
Molecular Weight368.88 g/mol
Exact Mass368.18
IUPAC NameN-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide
SMILESCN1CCC[C@H](CN2CCN(C(=O)Nc3cccc(Cl)c3F)CC2)C1
InChIInChI=1S/C18H26ClFN4O/c1-22-7-3-4-14(12-22)13-23-8-10-24(11-9-23)18(25)21-16-6-2-5-15(19)17(16)20/h2,5-6,14H,3-4,7-13H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyCLQSHVCRIQGOGU-AWEZNQCLSA-N
XLogP2.97
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.88
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide
CID 97279001
4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 97435778
N-(3,4-dichlorophenyl)-4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11598084
N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 71991884
4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 126777645
1-(2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine
CID 97185936
N-(3,4-dichlorophenyl)-4-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11648376
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
N-(2-fluorophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110858575
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide (CID 97284146) is N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide is CN1CCC[C@H](CN2CCN(C(=O)Nc3cccc(Cl)c3F)CC2)C1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide?
The InChIKey is CLQSHVCRIQGOGU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26ClFN4O/c1-22-7-3-4-14(12-22)13-23-8-10-24(11-9-23)18(25)21-16-6-2-5-15(19)17(16)20/h2,5-6,14H,3-4,7-13H2,1H3,(H,21,25)/t14-/m0/s1.
What are the key properties of N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide?
N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide has a molecular weight of 368.88 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 97284146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).