N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane

C24H36FN3O2 — CID 142446718

IUPACN-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.N#CC(c1cccc(F)c1)(C1CCNCC1)C1CCCC1NC=O
InChIInChI=1S/C19H24FN3O.C5H12O/c20-16-4-1-3-15(11-16)19(12-21,14-7-9-22-10-8-14)17-5-2-6-18(17)23-13-24;1-5(2,3)6-4/h1,3-4,11,13-14,17-18,22H,2,5-10H2,(H,23,24);1-4H3
InChIKeyCFDBZAHXBMYLNU-UHFFFAOYSA-N
MW417.57 g/mol
LogP3.93
Rot. Bonds5

About N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane

N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane (PubChem CID 142446718) has the molecular formula C24H36FN3O2 and a molecular weight of 417.57 g/mol. Its IUPAC name is N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane.

Molecular Properties

Compound NameN-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane
PubChem CID142446718
Molecular FormulaC24H36FN3O2
Molecular Weight417.57 g/mol
Exact Mass417.28
IUPAC NameN-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.N#CC(c1cccc(F)c1)(C1CCNCC1)C1CCCC1NC=O
InChIInChI=1S/C19H24FN3O.C5H12O/c20-16-4-1-3-15(11-16)19(12-21,14-7-9-22-10-8-14)17-5-2-6-18(17)23-13-24;1-5(2,3)6-4/h1,3-4,11,13-14,17-18,22H,2,5-10H2,(H,23,24);1-4H3
InChIKeyCFDBZAHXBMYLNU-UHFFFAOYSA-N
XLogP3.93
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.57
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid
CID 156513770
[(1S,2R)-2-[(S)-(1-benzylpiperidin-4-yl)-cyano-(3-fluorophenyl)methyl]cyclopentyl]carbamic acid
CID 156513820
methyl N-[2-[cyano-[1-[[1-(4-cyanophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-(3-fluorophenyl)methyl]cyclopentyl]carbamate
CID 145397343
methyl N-[(1S,2R)-2-[(S)-cyano-(3-fluorophenyl)-[1-(4-phenylbutanoyl)piperidin-4-yl]methyl]cyclopentyl]carbamate
CID 146511547
methyl N-[(1S,2R)-2-[(S)-cyano-[1-[3-(3-cyclopropylsulfonylphenyl)propanoyl]piperidin-4-yl]-(3-fluorophenyl)methyl]cyclopentyl]carbamate
CID 146511740
tert-butyl N-[(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-piperidin-4-ylethyl]cyclopentyl]carbamate
CID 139550622
2-[2-[[cyclobutylidene(methoxy)methyl]amino]cyclopentyl]-2-[1-(2-ethyl-4-methylhexyl)piperidin-4-yl]-2-(3-fluorophenyl)acetonitrile
CID 166724536
methyl N-[(1S,2R)-2-[(S)-cyano-[1-[1-(3-cyclopropylsulfonylphenyl)azetidine-3-carbonyl]piperidin-4-yl]-(3-fluorophenyl)methyl]cyclopentyl]carbamate
CID 146511743
methyl N-[(1S,2R)-2-[cyano-(3-fluorophenyl)-[1-[[1-[4-[3-(prop-2-enoylamino)phenyl]sulfonylphenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]cyclopentyl]carbamate
CID 156542465
(1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine
CID 156886845
methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate
CID 129395594
N-(2-tert-butylcyclohexyl)formamide
CID 64990782

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane?
The IUPAC name of N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane (CID 142446718) is N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane.
What is the SMILES notation for N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane?
The canonical SMILES for N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane is COC(C)(C)C.N#CC(c1cccc(F)c1)(C1CCNCC1)C1CCCC1NC=O.
What is the InChIKey of N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane?
The InChIKey is CFDBZAHXBMYLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O.C5H12O/c20-16-4-1-3-15(11-16)19(12-21,14-7-9-22-10-8-14)17-5-2-6-18(17)23-13-24;1-5(2,3)6-4/h1,3-4,11,13-14,17-18,22H,2,5-10H2,(H,23,24);1-4H3.
What are the key properties of N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane?
N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane has a molecular weight of 417.57 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane is sourced from PubChem (CID 142446718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).