N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide

C19H21F2N3O2 — CID 135235029

IUPACN-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide
SMILESCn1cc(C2CCN(C(=O)C3CC3(F)F)CC2)c2cc(NC=O)ccc21
InChIInChI=1S/C19H21F2N3O2/c1-23-10-15(14-8-13(22-11-25)2-3-17(14)23)12-4-6-24(7-5-12)18(26)16-9-19(16,20)21/h2-3,8,10-12,16H,4-7,9H2,1H3,(H,22,25)
InChIKeyLNFMMGQLGZXHHS-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.11
Rot. Bonds4

About N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide

N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide (PubChem CID 135235029) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide.

Molecular Properties

Compound NameN-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide
PubChem CID135235029
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide
SMILESCn1cc(C2CCN(C(=O)C3CC3(F)F)CC2)c2cc(NC=O)ccc21
InChIInChI=1S/C19H21F2N3O2/c1-23-10-15(14-8-13(22-11-25)2-3-17(14)23)12-4-6-24(7-5-12)18(26)16-9-19(16,20)21/h2-3,8,10-12,16H,4-7,9H2,1H3,(H,22,25)
InChIKeyLNFMMGQLGZXHHS-UHFFFAOYSA-N
XLogP3.11
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-methyl-3-[1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]indol-5-yl]formamide
CID 135234954
4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide
CID 118865635
cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone
CID 135234993
4-fluoro-N-[1-methyl-3-[1-(2,3,3-trimethylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide
CID 135334858
1-(2-cyanoethyl)-3-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-1-methylurea
CID 118865713
N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
CID 122443189
4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid
CID 118865629
tert-butyl 4-[5-[(3-cyanobenzoyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylate
CID 131746026
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241
[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 46103714
cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 161305463
cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 149156429

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide?
The IUPAC name of N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide (CID 135235029) is N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide.
What is the SMILES notation for N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide?
The canonical SMILES for N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide is Cn1cc(C2CCN(C(=O)C3CC3(F)F)CC2)c2cc(NC=O)ccc21.
What is the InChIKey of N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide?
The InChIKey is LNFMMGQLGZXHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-23-10-15(14-8-13(22-11-25)2-3-17(14)23)12-4-6-24(7-5-12)18(26)16-9-19(16,20)21/h2-3,8,10-12,16H,4-7,9H2,1H3,(H,22,25).
What are the key properties of N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide?
N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide has a molecular weight of 361.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide is sourced from PubChem (CID 135235029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).