N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide

C19H29FN4O — CID 95934076

IUPACN-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC(Nc2ccccc2F)CC1)N(C)C1CC1
InChIInChI=1S/C19H29FN4O/c1-14(23(2)16-7-8-16)13-21-19(25)24-11-9-15(10-12-24)22-18-6-4-3-5-17(18)20/h3-6,14-16,22H,7-13H2,1-2H3,(H,21,25)/t14-/m1/s1
InChIKeyAAQOYUGBKPHUAM-CQSZACIVSA-N
MW348.47 g/mol
LogP2.89
Rot. Bonds6

About N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide

N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide (PubChem CID 95934076) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide
PubChem CID95934076
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC NameN-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC(Nc2ccccc2F)CC1)N(C)C1CC1
InChIInChI=1S/C19H29FN4O/c1-14(23(2)16-7-8-16)13-21-19(25)24-11-9-15(10-12-24)22-18-6-4-3-5-17(18)20/h3-6,14-16,22H,7-13H2,1-2H3,(H,21,25)/t14-/m1/s1
InChIKeyAAQOYUGBKPHUAM-CQSZACIVSA-N
XLogP2.89
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide
CID 71868620
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide
CID 125448685
4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 126777276
4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 20629541
N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961824
4-(2,4-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262257
(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998532
4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol
CID 111496659
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95065481
N-(2-methylpropyl)-4-[methyl(pyridin-2-yl)amino]piperidine-1-carboxamide
CID 155977335
N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 51108800
N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide
CID 75515001

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide?
The IUPAC name of N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide (CID 95934076) is N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide is C[C@H](CNC(=O)N1CCC(Nc2ccccc2F)CC1)N(C)C1CC1.
What is the InChIKey of N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide?
The InChIKey is AAQOYUGBKPHUAM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29FN4O/c1-14(23(2)16-7-8-16)13-21-19(25)24-11-9-15(10-12-24)22-18-6-4-3-5-17(18)20/h3-6,14-16,22H,7-13H2,1-2H3,(H,21,25)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide?
N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide is sourced from PubChem (CID 95934076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).