(3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide

C20H25ClFN5O2 — CID 176708435

IUPAC(3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@@H](N(C(=O)NCc2cc3cc(Cl)c(F)cc3[nH]2)C2CC2)C1
InChIInChI=1S/C20H25ClFN5O2/c1-23-19(28)26-6-2-3-15(11-26)27(14-4-5-14)20(29)24-10-13-7-12-8-16(21)17(22)9-18(12)25-13/h7-9,14-15,25H,2-6,10-11H2,1H3,(H,23,28)(H,24,29)/t15-/m1/s1
InChIKeyGQLAEMUIQXOABV-OAHLLOKOSA-N
MW421.90 g/mol
LogP3.44
Rot. Bonds4

About (3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide

(3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide (PubChem CID 176708435) has the molecular formula C20H25ClFN5O2 and a molecular weight of 421.90 g/mol. Its IUPAC name is (3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
PubChem CID176708435
Molecular FormulaC20H25ClFN5O2
Molecular Weight421.90 g/mol
Exact Mass421.17
IUPAC Name(3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@@H](N(C(=O)NCc2cc3cc(Cl)c(F)cc3[nH]2)C2CC2)C1
InChIInChI=1S/C20H25ClFN5O2/c1-23-19(28)26-6-2-3-15(11-26)27(14-4-5-14)20(29)24-10-13-7-12-8-16(21)17(22)9-18(12)25-13/h7-9,14-15,25H,2-6,10-11H2,1H3,(H,23,28)(H,24,29)/t15-/m1/s1
InChIKeyGQLAEMUIQXOABV-OAHLLOKOSA-N
XLogP3.44
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.90
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide 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

3-[(4-chloro-2-fluoro-5-methylphenyl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 165119686
(3R,5S)-3-[(6-chloro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
CID 176708366
3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide
CID 176708330
3-[(5-chloro-1H-indol-2-yl)methyl]-1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-1-methylurea
CID 171644198
3-[(4-chloro-2-fluoro-5-methylphenyl)methylcarbamoyl-cyclopropylamino]-N-cyclopropylpiperidine-1-carboxamide
CID 177106134
(3R)-3-[(4-chloro-5-ethyl-2-fluorophenyl)methylcarbamoyl-cyclopropylamino]-N-methoxypiperidine-1-carboxamide
CID 165119771
3-[(5-chloro-1H-indol-2-yl)methyl]-1-[(3R)-1-(3-hydroxypropanoyl)piperidin-3-yl]-1-methylurea
CID 171644210
3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-(1-methylazetidine-3-carbonyl)piperidin-3-yl]urea
CID 171644204
3-[(5-chloro-1H-indol-2-yl)methyl]-1-[(3R)-1-(2,3-dihydroxypropanoyl)piperidin-3-yl]-1-methylurea
CID 171644500
3-[(5-chloro-1H-indol-2-yl)methyl]-1-[(3R)-1-(3,3-difluorocyclobutanecarbonyl)piperidin-3-yl]-1-methylurea
CID 171644340
3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[(3R)-1-(3-oxocyclopentanecarbonyl)piperidin-3-yl]urea
CID 171643945
3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 176713128

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide (CID 176708435) is (3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC[C@@H](N(C(=O)NCc2cc3cc(Cl)c(F)cc3[nH]2)C2CC2)C1.
What is the InChIKey of (3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide?
The InChIKey is GQLAEMUIQXOABV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25ClFN5O2/c1-23-19(28)26-6-2-3-15(11-26)27(14-4-5-14)20(29)24-10-13-7-12-8-16(21)17(22)9-18(12)25-13/h7-9,14-15,25H,2-6,10-11H2,1H3,(H,23,28)(H,24,29)/t15-/m1/s1.
What are the key properties of (3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide?
(3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide has a molecular weight of 421.90 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 176708435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).