N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide

C19H26ClFN2O — CID 171336100

IUPACN-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
SMILESCN(CC1CCN(Cc2c(F)cccc2Cl)CC1)C(=O)C1CCC1
InChIInChI=1S/C19H26ClFN2O/c1-22(19(24)15-4-2-5-15)12-14-8-10-23(11-9-14)13-16-17(20)6-3-7-18(16)21/h3,6-7,14-15H,2,4-5,8-13H2,1H3
InChIKeySMSZYETWGUVKTI-UHFFFAOYSA-N
MW352.88 g/mol
LogP3.95
Rot. Bonds5

About N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide

N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide (PubChem CID 171336100) has the molecular formula C19H26ClFN2O and a molecular weight of 352.88 g/mol. Its IUPAC name is N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
PubChem CID171336100
Molecular FormulaC19H26ClFN2O
Molecular Weight352.88 g/mol
Exact Mass352.17
IUPAC NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
SMILESCN(CC1CCN(Cc2c(F)cccc2Cl)CC1)C(=O)C1CCC1
InChIInChI=1S/C19H26ClFN2O/c1-22(19(24)15-4-2-5-15)12-14-8-10-23(11-9-14)13-16-17(20)6-3-7-18(16)21/h3,6-7,14-15H,2,4-5,8-13H2,1H3
InChIKeySMSZYETWGUVKTI-UHFFFAOYSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.88
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine
CID 60505494
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
4-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine;oxalic acid
CID 163326693
(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 756890
3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
CID 111381510
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 74237935
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249339
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3148930
2-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 6734114
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918468

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide (CID 171336100) is N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide is CN(CC1CCN(Cc2c(F)cccc2Cl)CC1)C(=O)C1CCC1.
What is the InChIKey of N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
The InChIKey is SMSZYETWGUVKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O/c1-22(19(24)15-4-2-5-15)12-14-8-10-23(11-9-14)13-16-17(20)6-3-7-18(16)21/h3,6-7,14-15H,2,4-5,8-13H2,1H3.
What are the key properties of N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide has a molecular weight of 352.88 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 171336100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).