N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide

C25H30FN3O2 — CID 91903717

IUPACN-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CCNC(=O)C3(c4ccccc4)CC3)CC2)cc1F
InChIInChI=1S/C25H30FN3O2/c1-18-7-8-21(17-22(18)26)28-24(31)29-15-10-19(11-16-29)9-14-27-23(30)25(12-13-25)20-5-3-2-4-6-20/h2-8,17,19H,9-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyNQNXLGYKVOZLQV-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.62
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide

N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide (PubChem CID 91903717) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
PubChem CID91903717
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CCNC(=O)C3(c4ccccc4)CC3)CC2)cc1F
InChIInChI=1S/C25H30FN3O2/c1-18-7-8-21(17-22(18)26)28-24(31)29-15-10-19(11-16-29)9-14-27-23(30)25(12-13-25)20-5-3-2-4-6-20/h2-8,17,19H,9-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyNQNXLGYKVOZLQV-UHFFFAOYSA-N
XLogP4.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
CID 91903548
4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913330
4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823381
4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913328
N-(3-fluoro-4-methylphenyl)-4-[2-[3-(3-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903719
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
(4aS,8aR)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944608
(4aR,8aS)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944607
N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903683
3-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylazocane-1-carboxamide
CID 144845910
N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide
CID 92757467
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide (CID 91903717) is N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(CCNC(=O)C3(c4ccccc4)CC3)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide?
The InChIKey is NQNXLGYKVOZLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-18-7-8-21(17-22(18)26)28-24(31)29-15-10-19(11-16-29)9-14-27-23(30)25(12-13-25)20-5-3-2-4-6-20/h2-8,17,19H,9-16H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide?
N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide has a molecular weight of 423.53 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 91903717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).